data_2mtq_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 2mtq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 65.230000000000004 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.340000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.319999999999993 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 65.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 70.299999999999997 110.848 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 62.130000000000003 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.114 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.899 0.381 . . . . 75.049999999999997 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 72.299999999999997 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 63.539999999999999 111.075 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 72.519999999999996 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.310000000000002 111.134 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.540000000000006 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 71.409999999999997 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 70.040000000000006 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 70.329999999999998 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.801 0.334 . . . . 73.209999999999994 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 64.349999999999994 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.409999999999997 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.540000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 65.049999999999997 111.161 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 71.420000000000002 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 72.129999999999995 110.87 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.219999999999999 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.167 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 63.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.929 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 75.219999999999999 110.88 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.377 . . . . 70.420000000000002 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.239999999999995 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.400000000000006 110.929 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 64.549999999999997 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.87 0.367 . . . . 75.540000000000006 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.519999999999996 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 70.140000000000001 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.310000000000002 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.867 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.878 0.371 . . . . 72.319999999999993 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 111.108 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.888 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.030000000000001 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.219999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 75.519999999999996 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.845 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 73.219999999999999 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 72.120000000000005 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 75.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.329999999999998 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.5 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.409999999999997 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 72.230000000000004 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 71.140000000000001 111.124 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.450000000000003 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 70.120000000000005 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.109999999999999 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 75.030000000000001 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.310000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 74.109999999999999 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.420000000000002 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.510000000000005 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 55.439999999999998 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 75.150000000000006 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 72.409999999999997 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.510000000000005 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.430000000000007 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 110.933 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.107 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 73.420000000000002 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 72.230000000000004 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.941 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.299999999999997 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.549999999999997 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 75.040000000000006 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.229999999999997 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 54.340000000000003 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.894 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.911 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.019999999999996 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 71.030000000000001 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 73.420000000000002 112.508 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.787 0.327 . . . . 74.310000000000002 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 70.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 75.450000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.400000000000006 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.150000000000006 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 111.117 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.888 0.375 . . . . 74.140000000000001 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.030000000000001 111.12 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.923 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.349999999999994 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.420000000000002 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 53.140000000000001 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.847 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 75.030000000000001 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.130000000000003 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.118 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 75.219999999999999 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 64.140000000000001 112.484 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.826 0.346 . . . . 73.510000000000005 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 71.329999999999998 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 64.340000000000003 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.863 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 75.049999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 74.140000000000001 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 75.230000000000004 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 71.129999999999995 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 111.087 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 111.171 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 73.549999999999997 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.888 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.319999999999993 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.019999999999996 111.131 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.239999999999995 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 62.039999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 73.319999999999993 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.299999999999997 110.959 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 75.209999999999994 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.349999999999994 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.109999999999999 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 62.229999999999997 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 71.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 74.200000000000003 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.25 111.155 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.299999999999997 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.409999999999997 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.530000000000001 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 61.200000000000003 111.095 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 72.230000000000004 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.5 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.349999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 62.399999999999999 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.409999999999997 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 75.430000000000007 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 73.209999999999994 110.819 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 74.209999999999994 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 72.120000000000005 111.092 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.120000000000005 110.841 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 62.130000000000003 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.892 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.818 0.342 . . . . 72.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.510000000000005 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.200000000000003 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.450000000000003 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.239999999999995 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 111.113 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.439999999999998 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.340000000000003 110.885 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 72.450000000000003 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 64.230000000000004 111.101 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.010000000000005 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 111.059 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.530000000000001 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.219999999999999 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.913 0.387 . . . . 73.349999999999994 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 74.140000000000001 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.94 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.019999999999996 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 73.5 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.239999999999995 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 72.150000000000006 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 70.200000000000003 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 111.113 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.540000000000006 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.030000000000001 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.530000000000001 111.095 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 71.5 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 72.049999999999997 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 43.340000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 54.009999999999998 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.914 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.854 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 61.530000000000001 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.927 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.32 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 55.009999999999998 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.230000000000004 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.430000000000007 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 50.32 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 75.230000000000004 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.230000000000004 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 64.430000000000007 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.019999999999996 110.922 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.329999999999998 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.530000000000001 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.349999999999994 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 71.25 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.540000000000006 110.841 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 72.400000000000006 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 72.319999999999993 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 71.420000000000002 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.239999999999995 110.848 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 75.030000000000001 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.430000000000007 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.439999999999998 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.409999999999997 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.549999999999997 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 71.129999999999995 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.519999999999996 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 74.349999999999994 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.530000000000001 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.365 . . . . 70.200000000000003 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.96 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.25 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 55.130000000000003 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.150000000000006 111.11 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 72.030000000000001 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.310000000000002 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.129999999999995 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 72.430000000000007 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 65.400000000000006 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.150000000000006 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 70.099999999999994 110.946 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 71.140000000000001 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 75.209999999999994 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 73.109999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 71.120000000000005 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 73.099999999999994 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.299999999999997 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 73.25 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 72.140000000000001 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 54.32 111.147 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.924 0.392 . . . . 75.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 62.140000000000001 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.105 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 65.549999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 72.420000000000002 110.943 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.340000000000003 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 72.450000000000003 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.337 . . . . 70.549999999999997 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.230000000000004 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 111.156 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 70.329999999999998 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.409999999999997 110.887 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.914 0.388 . . . . 73.549999999999997 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.209999999999994 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.030000000000001 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 71.109999999999999 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 111.125 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 110.919 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.898 0.38 . . . . 74.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.010000000000005 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 73.329999999999998 110.883 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 75.129999999999995 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.400000000000006 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.892 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.347 . . . . 73.120000000000005 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.019999999999996 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 64.329999999999998 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.230000000000004 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.010000000000005 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.530000000000001 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 75.549999999999997 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.530000000000001 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.530000000000001 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.319999999999993 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.873 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 111.08 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 70.230000000000004 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 71.230000000000004 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.319999999999993 111.102 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.439999999999998 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.299999999999997 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 75.430000000000007 110.818 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 64.200000000000003 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 72.010000000000005 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 63.409999999999997 112.465 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.797 0.332 . . . . 74.530000000000001 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 62.210000000000001 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 72.200000000000003 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 110.929 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.509999999999998 111.108 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.895 0.378 . . . . 72.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.420000000000002 111.094 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.010000000000005 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.049999999999997 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 74.430000000000007 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.147 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.128 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 71.150000000000006 112.492 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 73.510000000000005 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 65.030000000000001 110.889 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 70.109999999999999 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 75.549999999999997 111.119 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.230000000000004 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.009999999999998 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.094 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.882 0.372 . . . . 64.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.892 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.230000000000004 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 75.010000000000005 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.150000000000006 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 74.0 110.885 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 72.129999999999995 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.861 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 111.109 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 71.430000000000007 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.329999999999998 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.310000000000002 112.484 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.821 0.343 . . . . 75.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.150000000000006 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 74.049999999999997 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 62.450000000000003 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 70.430000000000007 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 64.519999999999996 111.132 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 72.099999999999994 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 110.89 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 110.861 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.430000000000007 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 72.400000000000006 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.540000000000006 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 64.420000000000002 112.457 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.803 0.335 . . . . 72.099999999999994 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 75.310000000000002 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.876 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.510000000000005 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.019999999999996 111.094 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.402 . . . . 73.120000000000005 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 65.409999999999997 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.230000000000004 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 70.519999999999996 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.219999999999999 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 111.129 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.899 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.049999999999997 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 111.119 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.120000000000005 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.857 0.36 . . . . 74.150000000000006 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.299999999999997 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 75.230000000000004 111.104 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.340000000000003 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 75.120000000000005 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 71.040000000000006 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 111.103 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 65.400000000000006 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.105 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.420000000000002 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 70.209999999999994 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 75.430000000000007 110.93 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.34 . . . . 72.25 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.94 -145.15 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 70.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -109.97 34.3 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 65.230000000000004 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.340000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 73.340000000000003 111.128 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 74.319999999999993 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.44 8.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.17 71.49 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 75.540000000000006 112.489 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -158.71 116.24 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 70.430000000000007 110.828 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -21.05 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.329999999999998 110.911 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.15 -44.45 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.146 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.0 -51.55 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 65.230000000000004 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 70.299999999999997 110.848 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 62.130000000000003 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.114 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 74.129999999999995 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.56 -15.04 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -50.19 -60.91 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 74.409999999999997 110.892 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.69 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 72.439999999999998 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 97.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 63.509999999999998 112.494 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -51.93 -29.69 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 75.030000000000001 110.941 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.52 27.67 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 71.439999999999998 112.492 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -51.84 160.48 1.11 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.653 0.739 . . . . 74.340000000000003 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -30.39 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 72.5 112.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.74 -42.31 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 75.049999999999997 110.917 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 64.329999999999998 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 72.299999999999997 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 63.539999999999999 111.075 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 72.519999999999996 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.310000000000002 111.134 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 72.109999999999999 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 42.98 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 75.310000000000002 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 33.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.847 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 110.913 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.328 . . . . 72.120000000000005 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.29 -130.4 10.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 71.329999999999998 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -67.62 -33.24 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.540000000000006 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 71.409999999999997 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 70.040000000000006 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 70.329999999999998 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 73.049999999999997 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.76 -12.0 61.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -76.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 74.519999999999996 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.8 t -174.61 146.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -37.54 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.921 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.23 20.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 54.439999999999998 111.081 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.46 -34.86 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.209999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 64.349999999999994 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.409999999999997 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 70.540000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 65.049999999999997 111.161 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 71.420000000000002 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.78 -19.09 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -51.17 -51.05 57.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.941 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 58.6 40.34 23.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.865 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.97 58.06 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 74.420000000000002 112.443 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp 58.2 34.19 23.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 73.219999999999999 110.915 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.82 70.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 72.400000000000006 112.483 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.24 160.31 75.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 71.129999999999995 110.852 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.43 30.9 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 74.319999999999993 112.37 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -35.3 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.87 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.219999999999999 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 74.5 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.167 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 63.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.929 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.68 44.99 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 75.219999999999999 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.92 34.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.868 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.904 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.827 0.346 . . . . 53.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.69 -133.46 21.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 65.200000000000003 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.26 29.22 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 70.420000000000002 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 64.239999999999995 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.400000000000006 110.929 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 64.549999999999997 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 -10.0 56.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.72 -68.74 1.49 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 64.420000000000002 112.531 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 140.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 72.230000000000004 110.875 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.8 25.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.25 110.878 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.81 -36.95 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.010000000000005 111.092 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.29 -33.36 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.540000000000006 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.519999999999996 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 70.140000000000001 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.310000000000002 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.867 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.08 -15.26 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -64.71 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.913 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 179.05 -66.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 75.5 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.03 -48.5 3.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 62.43 112.545 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -74.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 74.030000000000001 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.56 78.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 64.409999999999997 112.482 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.93 77.54 22.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 72.230000000000004 110.867 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.31 35.94 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.673 2.249 . . . . 71.530000000000001 112.322 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.7 -33.33 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 72.319999999999993 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 111.108 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.329999999999998 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.888 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 73.030000000000001 111.105 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.319999999999993 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 64.219999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 46.2 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 75.519999999999996 110.862 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -179.82 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.876 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 70.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.6 -133.79 38.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 61.520000000000003 112.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.24 27.05 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.845 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 73.219999999999999 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 72.120000000000005 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.31 -18.36 3.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.75 -38.67 45.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 63.210000000000001 112.493 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.77 119.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.239999999999995 110.848 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -28.3 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.109999999999999 110.895 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.66 -33.35 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 74.319999999999993 111.063 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.39 -33.06 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.239999999999995 110.883 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.329999999999998 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 65.319999999999993 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 74.200000000000003 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.5 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.409999999999997 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.71 -18.69 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -76.27 -24.31 54.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.928 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 75.219999999999999 110.874 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.73 108.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.19 54.87 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 73.439999999999998 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.52 -77.79 0.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 73.109999999999999 112.527 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 50.01 77.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 75.400000000000006 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -15.6 37.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 74.549999999999997 112.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.47 -45.66 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 72.230000000000004 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 71.140000000000001 111.124 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.450000000000003 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 70.120000000000005 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.109999999999999 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.120000000000005 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 75.030000000000001 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.310000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -133.87 41.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.5 32.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.86 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 74.209999999999994 110.894 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.85 0.357 . . . . 74.439999999999998 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.34 -130.5 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 73.299999999999997 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.05 28.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 74.109999999999999 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.420000000000002 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.873 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.510000000000005 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.120000000000005 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 55.439999999999998 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 75.150000000000006 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.96 -16.07 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.84 -43.85 54.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 73.299999999999997 112.441 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.61 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 64.450000000000003 110.807 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.25 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.540000000000006 110.883 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.77 -32.86 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -32.68 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.510000000000005 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.430000000000007 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.319999999999993 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.209999999999994 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.129999999999995 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 110.933 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.76 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.107 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -51.59 -61.14 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.030000000000001 110.915 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 61.7 58.17 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 73.209999999999994 110.879 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.73 93.58 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 74.310000000000002 112.501 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tptm 51.61 69.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 74.409999999999997 110.869 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.64 -125.06 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.109999999999999 112.484 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.46 59.41 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 75.310000000000002 110.86 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 75.409999999999997 112.359 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.68 -27.43 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.909 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 72.230000000000004 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.941 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.299999999999997 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 74.549999999999997 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 75.040000000000006 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 62.229999999999997 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 54.340000000000003 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -135.07 42.37 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 64.150000000000006 110.841 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.891 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.85 0.357 . . . . 74.450000000000003 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.74 -140.95 33.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 73.549999999999997 112.485 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -97.62 29.47 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.911 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.101 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.430000000000007 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.019999999999996 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 71.030000000000001 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.36 7.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 73.420000000000002 112.508 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.69 36.78 1.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 74.409999999999997 112.538 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -118.7 115.96 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 65.019999999999996 110.841 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -20.69 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 73.329999999999998 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.54 -45.44 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.14 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -50.88 -51.84 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.871 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 70.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 75.450000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 74.400000000000006 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.150000000000006 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -26.53 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 111.117 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -52.07 -34.82 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.955 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttt 63.64 20.36 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.239999999999995 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.58 37.08 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 71.409999999999997 112.513 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -58.69 -21.15 53.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 70.239999999999995 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.83 -28.18 22.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 70.129999999999995 112.485 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.53 157.78 36.47 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.588 0.709 . . . . 73.310000000000002 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.73 37.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 73.319999999999993 112.384 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -50.8 -49.05 59.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 110.869 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 64.030000000000001 111.12 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.530000000000001 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.923 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.349999999999994 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 62.329999999999998 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.420000000000002 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 53.140000000000001 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.07 41.16 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.209999999999994 110.847 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.16 32.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 63.140000000000001 110.883 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.779 0.324 . . . . 73.420000000000002 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.41 -128.25 46.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 73.219999999999999 112.476 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -111.72 27.39 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.828 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 73.120000000000005 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 75.030000000000001 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.130000000000003 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.209999999999994 111.118 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 75.219999999999999 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.0 -30.61 7.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 64.140000000000001 112.484 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.04 31.27 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 74.030000000000001 112.479 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -113.01 116.67 30.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 65.120000000000005 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -20.69 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.83 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -45.97 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.150000000000006 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -50.68 -52.18 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.510000000000005 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 71.329999999999998 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 64.340000000000003 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.863 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 75.049999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 74.140000000000001 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 75.230000000000004 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 71.129999999999995 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.91 49.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.549999999999997 111.087 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.52 -64.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 65.200000000000003 110.901 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 63.38 44.57 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.36 60.33 3.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 53.240000000000002 112.439 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt 59.37 26.17 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 74.230000000000004 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.37 50.45 67.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 73.319999999999993 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.21 160.33 75.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 74.049999999999997 110.845 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.22 36.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 64.319999999999993 112.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -65.44 -46.73 78.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 74.230000000000004 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 111.171 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 73.549999999999997 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.888 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.319999999999993 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 74.019999999999996 111.131 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.239999999999995 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 62.039999999999999 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.230000000000004 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -34.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 73.319999999999993 110.857 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.78 34.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.836 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.892 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.823 0.344 . . . . 74.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.81 -127.63 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 70.439999999999998 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 28.83 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 75.299999999999997 110.959 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 75.209999999999994 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.349999999999994 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.109999999999999 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 62.229999999999997 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.18 7.29 62.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 -65.55 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 64.510000000000005 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 72.099999999999994 110.858 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -50.03 -35.41 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.867 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -35.85 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.36 -33.52 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 71.409999999999997 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 74.200000000000003 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.25 111.155 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.299999999999997 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.409999999999997 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.530000000000001 110.923 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.46 -22.2 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 61.200000000000003 111.095 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -58.84 -32.13 69.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.933 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.6 21.86 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 73.530000000000001 110.88 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.28 33.19 5.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 60.299999999999997 112.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -21.86 50.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 73.200000000000003 110.875 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.73 -28.12 21.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 55.240000000000002 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -104.95 158.97 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 73.200000000000003 110.885 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.6 37.36 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 75.530000000000001 112.374 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -51.61 -48.08 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.230000000000004 110.881 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 73.5 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 73.349999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 62.399999999999999 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.409999999999997 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 75.430000000000007 110.937 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.4 45.74 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 73.209999999999994 110.819 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -179.24 34.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.842 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.881 -179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 72.239999999999995 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.25 -125.46 9.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 75.129999999999995 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -35.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 74.209999999999994 110.855 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 72.120000000000005 111.092 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 72.120000000000005 110.841 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 62.130000000000003 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.892 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.52 16.79 58.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.24 -62.3 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 70.319999999999993 112.435 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.65 137.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 65.450000000000003 110.855 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -50.34 -34.59 24.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.79 -35.69 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 111.109 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -51.3 -33.1 27.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 110.861 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.510000000000005 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.200000000000003 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.450000000000003 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 72.239999999999995 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 111.113 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.439999999999998 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.340000000000003 110.885 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 -15.05 49.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.03 -59.48 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.916 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -161.29 -48.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 75.540000000000006 110.932 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.36 162.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 71.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.337 . . . . 71.109999999999999 110.877 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.5 37.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 53.32 112.477 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -110.38 90.78 10.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 71.129999999999995 110.874 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -13.97 35.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 72.099999999999994 112.277 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -51.53 -42.1 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.91 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 64.230000000000004 111.101 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 73.010000000000005 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 111.059 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 71.530000000000001 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.329999999999998 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.219999999999999 111.163 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -136.28 45.86 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.46 34.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 75.030000000000001 110.873 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 110.914 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.771 0.32 . . . . 72.239999999999995 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.57 -133.91 38.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 64.120000000000005 112.51 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -100.82 26.82 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 73.349999999999994 110.877 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 74.140000000000001 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 110.868 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.94 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.200000000000003 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.019999999999996 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.28 25.12 22.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.21 -85.84 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.439999999999998 112.523 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.91 153.06 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.109999999999999 110.833 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.38 -29.12 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 70.25 110.933 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 -43.29 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 65.239999999999995 111.086 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -36.51 29.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.931 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.239999999999995 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.219999999999999 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 72.150000000000006 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 75.010000000000005 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.92 57.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.040000000000006 110.943 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm 59.21 91.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 71.040000000000006 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.81 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 65.519999999999996 112.465 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.24 64.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 74.319999999999993 110.9 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.62 -19.03 50.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.329999999999998 112.469 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 39.81 71.17 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 74.230000000000004 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.32 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 73.310000000000002 112.329 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -61.49 -35.86 78.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.837 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 111.113 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.540000000000006 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 74.409999999999997 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 70.030000000000001 110.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.530000000000001 111.095 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 71.5 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 72.049999999999997 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 43.340000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 54.009999999999998 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.914 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -136.01 45.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.854 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.35 34.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 75.540000000000006 110.852 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.792 0.33 . . . . 75.040000000000006 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.44 -139.96 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 73.030000000000001 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -105.24 27.14 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 61.530000000000001 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.927 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 61.32 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 55.009999999999998 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 65.230000000000004 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.62 -16.8 4.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -41.88 53.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.707 . . . . 74.099999999999994 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.75 120.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 71.340000000000003 110.864 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -28.73 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 65.310000000000002 110.922 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.3 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.200000000000003 111.119 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 -32.24 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.430000000000007 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 63.420000000000002 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 50.32 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 62.43 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.77 -24.3 59.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.98 -65.06 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.049999999999997 110.936 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 tttm 50.39 63.92 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 75.430000000000007 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.32 124.26 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 71.420000000000002 112.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -32.42 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 70.319999999999993 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.43 15.65 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 74.120000000000005 112.508 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -113.31 75.42 2.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 73.420000000000002 110.871 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -14.41 36.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 64.219999999999999 112.376 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -49.88 -37.04 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 110.884 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 75.230000000000004 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 64.430000000000007 111.107 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.019999999999996 110.922 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 71.329999999999998 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.530000000000001 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 72.349999999999994 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 75.25 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 71.25 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -33.51 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.540000000000006 110.841 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.06 32.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 72.439999999999998 110.905 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 65.510000000000005 110.875 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.835 0.35 . . . . 75.430000000000007 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.65 -140.86 43.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 72.109999999999999 112.489 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -98.18 27.18 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 72.400000000000006 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 72.319999999999993 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 71.420000000000002 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.239999999999995 110.848 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 75.030000000000001 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.430000000000007 110.921 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.439999999999998 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.409999999999997 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.549999999999997 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.12 -34.16 4.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.19 28.76 4.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 71.319999999999993 112.499 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -117.72 114.41 23.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 75.230000000000004 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -19.39 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 73.109999999999999 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.07 -47.17 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.340000000000003 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.8 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.129999999999995 110.885 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 73.129999999999995 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 74.519999999999996 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 74.349999999999994 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.530000000000001 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.59 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -86.41 -64.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.430000000000007 110.896 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.15 83.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 110.909 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 -121.79 27.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 61.109999999999999 112.485 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttm 51.33 70.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 73.409999999999997 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.11 13.75 83.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 70.450000000000003 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -171.2 76.68 0.53 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 74.150000000000006 110.888 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -15.14 37.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 73.150000000000006 112.36 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -32.35 28.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 110.96 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.25 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 55.130000000000003 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.150000000000006 111.11 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 72.030000000000001 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.310000000000002 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 75.430000000000007 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -134.24 41.9 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.63 33.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.549999999999997 110.863 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.797 0.332 . . . . 72.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.81 -146.73 16.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 74.120000000000005 112.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.4 29.72 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.129999999999995 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.340000000000003 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 72.430000000000007 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.420000000000002 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 65.400000000000006 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 65.150000000000006 110.908 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 70.099999999999994 110.946 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.16 -15.24 56.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.87 -86.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 64.150000000000006 112.493 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -160.51 153.7 21.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 74.209999999999994 110.818 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.1 -35.52 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.549999999999997 110.895 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.76 -35.86 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 70.409999999999997 111.094 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.92 -35.36 32.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 71.140000000000001 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 75.209999999999994 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 73.109999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 71.120000000000005 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 73.099999999999994 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.299999999999997 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 73.25 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 72.140000000000001 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.46 57.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 54.32 111.147 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -59.54 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 72.030000000000001 110.933 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -179.68 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 72.430000000000007 110.876 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 -58.94 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 72.439999999999998 112.478 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -69.95 -21.78 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 74.450000000000003 110.873 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.94 -58.44 10.51 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 74.200000000000003 112.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -143.98 158.73 55.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 73.340000000000003 110.932 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.96 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.28 . . . . 72.430000000000007 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.42 -49.11 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 62.140000000000001 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.105 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 65.549999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 72.420000000000002 110.943 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.65 43.72 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.34 33.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 63.240000000000002 110.904 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.862 0.363 . . . . 73.430000000000007 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.87 -121.66 5.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.757 . . . . 73.019999999999996 112.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -105.11 28.27 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.340000000000003 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.549999999999997 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 72.450000000000003 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.29 12.14 58.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.17 -60.7 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 75.099999999999994 112.493 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.97 134.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 62.310000000000002 110.911 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -33.98 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.66 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 61.539999999999999 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.92 -32.25 20.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 70.549999999999997 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 70.230000000000004 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.530000000000001 111.156 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 70.329999999999998 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 62.420000000000002 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.409999999999997 110.887 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 63.520000000000003 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.45 66.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -51.79 -59.73 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 73.230000000000004 110.941 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 63.07 64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 65.409999999999997 110.932 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.08 -158.97 35.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 74.239999999999995 112.474 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.64 80.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 71.209999999999994 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.27 -4.88 79.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 70.109999999999999 112.51 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 50.82 62.2 11.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 75.239999999999995 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 73.030000000000001 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.46 -24.47 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.209999999999994 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 70.030000000000001 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 71.109999999999999 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 111.125 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.140000000000001 110.919 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.03 11.41 16.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 71.439999999999998 110.91 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 75.120000000000005 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.71 -151.41 52.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 63.43 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -96.26 27.08 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 74.209999999999994 110.862 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.010000000000005 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 73.329999999999998 110.883 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 75.129999999999995 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.400000000000006 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.892 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.38 5.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.46 75.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 74.329999999999998 112.495 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 m -164.6 114.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 73.439999999999998 110.865 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -23.62 41.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.299999999999997 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -49.87 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 62.450000000000003 111.119 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -50.76 -50.75 55.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.019999999999996 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 64.329999999999998 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.230000000000004 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.010000000000005 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.150000000000006 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.530000000000001 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 75.549999999999997 111.106 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.530000000000001 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 72.530000000000001 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.319999999999993 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 110.873 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.89 -16.94 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 111.08 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -53.46 -64.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 110.949 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.75 66.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.030000000000001 110.861 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.6 49.22 3.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 60.350000000000001 112.547 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttp 50.8 87.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.400000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 57.81 6.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.673 -0.775 . . . . 74.230000000000004 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -111.76 78.98 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 73.450000000000003 110.899 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.86 36.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 75.049999999999997 112.373 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.07 -36.88 66.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 70.230000000000004 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.209999999999994 111.151 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 71.230000000000004 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 72.319999999999993 111.102 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 64.420000000000002 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.439999999999998 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 47.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.299999999999997 110.889 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.68 33.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.823 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.877 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.38 -128.15 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 73.319999999999993 112.521 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -54.56 -36.7 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 75.430000000000007 110.818 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 64.200000000000003 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 72.010000000000005 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.51 36.91 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 63.409999999999997 112.465 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.15 -58.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 73.109999999999999 112.51 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.45 139.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 74.400000000000006 110.849 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -58.13 -29.07 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.129999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.33 -39.75 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 65.120000000000005 111.133 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -34.87 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.906 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 62.210000000000001 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 75.319999999999993 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 72.200000000000003 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 110.929 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.38 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.509999999999998 111.108 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.57 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.956 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -178.37 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 75.510000000000005 110.899 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.9 -60.95 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 62.219999999999999 112.491 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -51.46 -47.99 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 74.129999999999995 110.902 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.2 17.48 34.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 61.219999999999999 112.457 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -139.29 80.52 22.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 71.540000000000006 110.923 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.49 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 72.040000000000006 112.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.17 -33.77 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.420000000000002 111.094 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 111.097 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.010000000000005 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.75 54.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -179.9 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.420000000000002 110.839 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.892 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.854 0.359 . . . . 74.540000000000006 110.883 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.18 -118.06 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 74.400000000000006 112.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -81.87 -29.22 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.049999999999997 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.908 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 74.430000000000007 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.147 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.128 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.59 -31.29 7.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 71.150000000000006 112.492 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.8 70.77 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.129999999999995 112.444 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -160.24 116.21 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 71.400000000000006 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -21.01 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 110.904 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.09 -44.54 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 62.409999999999997 111.075 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.91 -51.43 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 73.510000000000005 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 65.030000000000001 110.889 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 70.109999999999999 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.530000000000001 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 75.549999999999997 111.119 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.230000000000004 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.009999999999998 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -28.32 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.094 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -51.73 -59.95 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 73.349999999999994 110.913 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.41 -46.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 74.109999999999999 110.887 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.16 172.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 74.439999999999998 112.498 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt 70.7 -70.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 73.310000000000002 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.2 -64.26 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 64.409999999999997 112.485 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -50.68 108.71 1.09 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 64.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -15.85 37.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 72.239999999999995 112.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.22 -46.08 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.892 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.230000000000004 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 75.010000000000005 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.150000000000006 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -135.25 43.09 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 74.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.92 33.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 74.140000000000001 110.871 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.879 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.821 0.343 . . . . 74.450000000000003 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.37 -143.09 46.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 72.439999999999998 112.476 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -65.68 -30.44 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 72.129999999999995 110.815 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.861 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 74.230000000000004 111.109 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 71.430000000000007 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 63.329999999999998 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.04 13.51 66.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 72.310000000000002 112.484 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.2 -69.01 1.42 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 63.340000000000003 112.459 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.82 141.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.439999999999998 110.848 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.11 -36.05 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.94 -36.51 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 75.349999999999994 111.09 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.46 -33.94 33.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.150000000000006 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 74.049999999999997 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 74.019999999999996 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 62.450000000000003 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.55 -21.51 57.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -51.42 -60.32 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.937 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.6 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 73.030000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.07 -61.77 4.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 45.240000000000002 112.52 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -51.98 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 73.430000000000007 110.934 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.01 -19.96 78.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 72.349999999999994 112.519 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -114.94 73.49 3.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.647 0.737 . . . . 71.349999999999994 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.72 37.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 75.450000000000003 112.325 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.46 -30.4 52.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 70.430000000000007 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 74.209999999999994 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 64.519999999999996 111.132 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 72.099999999999994 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.428 ' C ' ' H ' ' A' ' 72' ' ' HIS . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 110.89 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.0 30.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.510000000000005 110.861 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 70' ' ' TYR . 6.8 t60 64.76 24.6 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 110.842 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 72.239999999999995 110.869 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 75.200000000000003 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.27 -137.27 47.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 74.25 112.49 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.67 30.34 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.430000000000007 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 73.230000000000004 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 72.400000000000006 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.540000000000006 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.25 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.82 28.16 3.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 64.420000000000002 112.457 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.38 29.96 11.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 72.310000000000002 112.505 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -136.69 123.58 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 71.209999999999994 110.879 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -19.9 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 71.519999999999996 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -39.65 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 64.140000000000001 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -49.94 -41.71 46.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.874 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 75.310000000000002 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 74.400000000000006 110.876 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 72.510000000000005 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.66 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.019999999999996 111.094 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.02 -65.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.939 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? 49.92 57.45 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 75.299999999999997 110.874 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 123.22 6.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.439999999999998 112.48 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -51.27 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 74.209999999999994 110.87 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.37 27.24 12.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 71.340000000000003 112.528 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.07 80.96 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 74.540000000000006 110.946 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -14.57 36.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 62.210000000000001 112.356 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -55.81 -31.24 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 65.409999999999997 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.230000000000004 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 70.519999999999996 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.219999999999999 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 64.310000000000002 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 72.140000000000001 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.39 44.39 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -177.13 33.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.409999999999997 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.901 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.801 0.334 . . . . 75.540000000000006 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.19 -126.19 37.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 74.349999999999994 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -69.14 -38.19 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 111.129 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.899 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 71.049999999999997 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 111.119 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.120000000000005 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 75.319999999999993 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.59 -14.1 78.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.02 -76.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 62.049999999999997 112.496 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.95 146.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.340000000000003 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.43 32.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 73.420000000000002 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -37.12 19.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 111.063 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.39 -34.09 32.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.93 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.299999999999997 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 75.230000000000004 111.104 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.340000000000003 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 75.120000000000005 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.86 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.9 -60.72 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.319999999999993 110.898 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.45 -56.64 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 63.43 112.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -51.86 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.922 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.23 -16.39 79.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 74.019999999999996 112.482 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -113.66 74.27 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 74.120000000000005 110.843 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -15.67 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 75.310000000000002 112.358 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.89 -34.71 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.040000000000006 110.883 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.851 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 111.103 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 65.400000000000006 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.105 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.420000000000002 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 70.209999999999994 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.432 ' C ' ' H ' ' A' ' 72' ' ' HIS . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 75.430000000000007 110.93 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 29.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 70' ' ' TYR . 40.6 t60 65.34 25.47 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.837 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.540000000000006 110.845 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 63.310000000000002 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.420000000000002 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.55 ' CD2' HD21 ' A' ' 42' ' ' LEU . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.450000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.802 HG23 ' CD1' ' A' ' 31' ' ' PHE . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 45.420000000000002 111.128 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.43 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 62.240000000000002 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 14' ' ' ILE . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 44.530000000000001 110.848 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.099999999999994 111.114 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.100000000000001 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 56' ' ' LEU . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.899 0.381 . . . . 74.010000000000005 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 57' ' ' ARG . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 43.340000000000003 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 42' ' ' LEU . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 110.904 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.547 ' HG3' HG12 ' A' ' 53' ' ' VAL . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 111.075 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 64.299999999999997 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.448 HD13 HD11 ' A' ' 35' ' ' ILE . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 63.399999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.019999999999996 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 63.140000000000001 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.049999999999997 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.439999999999998 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 62.119999999999997 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.753 HG21 HD11 ' A' ' 35' ' ' ILE . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 63.340000000000003 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 60.25 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 70' ' ' TYR . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.801 0.334 . . . . 73.209999999999994 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 61.200000000000003 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 44.240000000000002 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.210000000000001 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 14' ' ' ILE . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 55.310000000000002 111.161 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.875 HD22 HD13 ' A' ' 56' ' ' LEU . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.945 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 50.210000000000001 110.87 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 50.520000000000003 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 42' ' ' LEU . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 55.219999999999999 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 15' ' ' LYS . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.239999999999995 111.167 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 62.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.929 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.88 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.524 ' CH2' HD13 ' A' ' 56' ' ' LEU . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.684 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 110.929 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 51.130000000000003 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.691 HG21 HD11 ' A' ' 35' ' ' ILE . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 53.329999999999998 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.87 0.367 . . . . 75.540000000000006 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 61.130000000000003 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.149999999999999 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 55.219999999999999 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.691 HD11 HG21 ' A' ' 14' ' ' ILE . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 63.43 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 63.539999999999999 110.867 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 56' ' ' LEU . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.878 0.371 . . . . 63.149999999999999 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.656 HG11 ' O ' ' A' ' 42' ' ' LEU . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.108 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.888 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 54.539999999999999 111.105 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.299999999999997 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 52.539999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.340000000000003 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HD2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.845 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' A' ' 31' ' ' PHE . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 62.350000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 53.229999999999997 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 75.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.510000000000005 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 61.350000000000001 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.43 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 43.539999999999999 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.349999999999994 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 60.399999999999999 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 56' ' ' LEU . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.913 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 72.230000000000004 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 61.539999999999999 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 72.230000000000004 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD22 ' HD2' ' A' ' 7' ' ' PHE . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 34.399999999999999 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.030000000000001 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 64.450000000000003 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.200000000000003 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 62.229999999999997 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' A' ' 42' ' ' LEU . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.665 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 53.240000000000002 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.020000000000003 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.776 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.030000000000001 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 ' CE2' ' A' ' 70' ' ' TYR . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 72.140000000000001 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 31.109999999999999 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 62.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 53.409999999999997 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.329999999999998 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 64.040000000000006 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 50.119999999999997 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 56' ' ' LEU . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 72.319999999999993 110.933 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.530000000000001 111.107 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 73.420000000000002 110.909 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.65 HG12 ' HG3' ' A' ' 57' ' ' ARG . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 42' ' ' LEU . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.65 ' HG3' HG12 ' A' ' 53' ' ' VAL . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 64.25 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 61.210000000000001 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.329999999999998 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 55.149999999999999 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 53.240000000000002 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.646 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.894 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 72.510000000000005 110.927 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.911 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 38' ' ' PHE . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.876 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 43.130000000000003 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' CD1' ' A' ' 31' ' ' PHE . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 111.101 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 61.520000000000003 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.400000000000006 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 55.020000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 71.340000000000003 112.508 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.787 0.327 . . . . 74.310000000000002 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CD1' HG23 ' A' ' 14' ' ' ILE . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.439999999999998 110.905 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.399999999999999 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.32 111.117 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 53' ' ' VAL . 16.5 pt-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.888 0.375 . . . . 74.140000000000001 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 51.109999999999999 111.12 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 63.549999999999997 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 42' ' ' LEU . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 63.539999999999999 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.150000000000006 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.239999999999995 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.903 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 44.240000000000002 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 65.340000000000003 110.847 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 51.240000000000002 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 53.240000000000002 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' CE2' HD21 ' A' ' 42' ' ' LEU . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.230000000000004 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.200000000000003 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 53.310000000000002 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.813 HG23 ' CD1' ' A' ' 31' ' ' PHE . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 64.299999999999997 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' CG ' ' A' ' 70' ' ' TYR . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 44.549999999999997 112.484 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.826 0.346 . . . . 73.510000000000005 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 51.530000000000001 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 51.119999999999997 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CD1' HG23 ' A' ' 14' ' ' ILE . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.210000000000001 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG23 ' HB1' ' A' ' 60' ' ' ALA . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.450000000000003 111.124 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 64.209999999999994 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.017 HD22 HD13 ' A' ' 56' ' ' LEU . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 24.309999999999999 111.087 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.8 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.450000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 53.329999999999998 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 HD22 ' A' ' 42' ' ' LEU . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 51.32 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 64.299999999999997 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 63.520000000000003 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB1' HG23 ' A' ' 35' ' ' ILE . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 111.131 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.310000000000002 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.329999999999998 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.749 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 64.209999999999994 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.959 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 73.340000000000003 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 56' ' ' LEU . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 73.010000000000005 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.637 HG21 HD11 ' A' ' 35' ' ' ILE . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 55.520000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 70.450000000000003 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 70' ' ' TYR . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 71.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' ' NH2' ' A' ' 71' ' ' ARG . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 73.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 111.155 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 34.210000000000001 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 61.530000000000001 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.010000000000005 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.219999999999999 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 56' ' ' LEU . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.923 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 60.229999999999997 111.095 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 53' ' ' VAL . 13.6 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 72.230000000000004 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 52' ' ' GLU . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 52.240000000000002 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD23 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 55.329999999999998 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.239999999999995 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 64.329999999999998 110.937 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.697 ' NH2' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 64.340000000000003 110.819 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 64.219999999999999 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 61.219999999999999 111.092 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 62.240000000000002 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.209999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' PHE . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.030000000000001 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.120000000000005 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 62.409999999999997 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.209999999999994 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 64.439999999999998 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.818 0.342 . . . . 72.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 52.350000000000001 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 14' ' ' ILE . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.113 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.109999999999999 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.530000000000001 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 64.019999999999996 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.131 HD22 HD13 ' A' ' 56' ' ' LEU . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 72.450000000000003 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.786 ' HA ' HD12 ' A' ' 56' ' ' LEU . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.119999999999997 111.101 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 31.030000000000001 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.131 HD13 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 34.109999999999999 111.059 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 54.32 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.32 111.163 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 54.119999999999997 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.913 0.387 . . . . 73.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 73.409999999999997 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 7' ' ' PHE . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.530000000000001 110.94 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.5 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 35' ' ' ILE . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 70.010000000000005 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 51.240000000000002 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 70' ' ' TYR . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 73.5 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 42.100000000000001 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.25 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 14' ' ' ILE . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 65.310000000000002 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 56' ' ' LEU . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 70.200000000000003 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.808 ' HA ' HD12 ' A' ' 56' ' ' LEU . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 53.140000000000001 111.113 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 55.43 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 42' ' ' LEU . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 64.239999999999995 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.409999999999997 111.095 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 34.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.32 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 111.132 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 71.010000000000005 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 35.020000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 15.15 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.914 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 55.219999999999999 110.854 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 51.509999999999998 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 56' ' ' LEU . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.927 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 52.439999999999998 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 30.34 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.791 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CD2' ' A' ' 70' ' ' TYR . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 73.400000000000006 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 53.25 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.791 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 61.340000000000003 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 40.039999999999999 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 56' ' ' LEU . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 75.230000000000004 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 64.150000000000006 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 33.329999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.922 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 70.239999999999995 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.230000000000004 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 63.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 14' ' ' ILE . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.219999999999999 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 55.439999999999998 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.229999999999997 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.841 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 62.43 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 52.409999999999997 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.606 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.848 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.921 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 11' ' ' LEU . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.310000000000002 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.130000000000003 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 70' ' ' TYR . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.520000000000003 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 71.129999999999995 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 14' ' ' ILE . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.340000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.519999999999996 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 55.340000000000003 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 56' ' ' LEU . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 64.219999999999999 110.904 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.365 . . . . 70.200000000000003 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 51.32 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 42' ' ' LEU . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.96 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 53.399999999999999 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 111.11 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 60.520000000000003 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 45.439999999999998 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.109999999999999 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.430000000000007 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 71.129999999999995 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 62.210000000000001 110.955 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 45.240000000000002 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.100000000000001 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' HG23 ' A' ' 63' ' ' ILE . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.349999999999994 110.908 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.349999999999994 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 53.140000000000001 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 42.399999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 53.130000000000003 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 65.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 111.147 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.924 0.392 . . . . 71.25 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 64.010000000000005 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' LEU . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.100000000000001 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.105 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.030000000000001 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD11 ' HD3' ' A' ' 15' ' ' LYS . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.310000000000002 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 60.119999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 65.120000000000005 110.943 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.129999999999995 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 42' ' ' LEU . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.329999999999998 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 56' ' ' LEU . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.817 HG23 ' CD1' ' A' ' 31' ' ' PHE . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 70' ' ' TYR . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.337 . . . . 70.549999999999997 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.817 ' CD1' HG23 ' A' ' 14' ' ' ILE . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 54.140000000000001 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.156 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 51.030000000000001 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 45.119999999999997 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 45.229999999999997 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 56' ' ' LEU . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.109999999999999 110.887 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 44.409999999999997 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.914 0.388 . . . . 70.219999999999999 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.65 ' HA ' HD12 ' A' ' 56' ' ' LEU . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.827 HD13 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 54.420000000000002 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.5 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.310000000000002 111.125 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.919 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.898 0.38 . . . . 65.439999999999998 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CH2' HD13 ' A' ' 56' ' ' LEU . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.703 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.200000000000003 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.310000000000002 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 60.200000000000003 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.892 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.347 . . . . 62.43 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 51.049999999999997 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.409999999999997 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 61.009999999999998 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.340000000000003 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 71.200000000000003 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 61.450000000000003 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD13 HD23 ' A' ' 56' ' ' LEU . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.210000000000001 111.08 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 70.230000000000004 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 42' ' ' LEU . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 72.549999999999997 111.151 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 65.340000000000003 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 18' ' ' CYS . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 52.340000000000003 111.102 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 42.329999999999998 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 54.200000000000003 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.120000000000005 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 51.32 110.818 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 63' ' ' ILE . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 63.350000000000001 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 53.229999999999997 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 61.439999999999998 112.465 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.797 0.332 . . . . 72.310000000000002 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 53.549999999999997 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 51.520000000000003 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 52.25 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 55.32 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.400000000000006 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 56' ' ' LEU . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.929 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 61.100000000000001 111.108 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.895 0.378 . . . . 72.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.677 ' HA ' HD12 ' A' ' 56' ' ' LEU . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' ' CZ2' ' A' ' 4' ' ' TRP . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 111.094 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 42' ' ' LEU . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 43.43 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ALA . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.150000000000006 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 62.229999999999997 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 55.549999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 110.908 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.409999999999997 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' HH11 ' A' ' 17' ' ' ARG . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.785 HG23 ' CD1' ' A' ' 31' ' ' PHE . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.299999999999997 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 70.209999999999994 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.601 HH11 ' HB1' ' A' ' 13' ' ' ALA . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 70.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 43.520000000000003 112.492 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 52.039999999999999 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 63.299999999999997 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CD1' HG23 ' A' ' 14' ' ' ILE . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 55.100000000000001 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 62.509999999999998 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.565 ' CD1' HD13 ' A' ' 63' ' ' ILE . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 65.420000000000002 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.549999999999997 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.009999999999998 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 56' ' ' LEU . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.510000000000005 111.094 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.882 0.372 . . . . 64.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.822 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.120000000000005 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 42' ' ' LEU . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 61.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 35' ' ' ILE . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 65.25 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.703 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 73.140000000000001 110.885 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 44.210000000000001 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 65.540000000000006 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 45.039999999999999 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 35' ' ' ILE . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.049999999999997 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 70' ' ' TYR . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.32 112.484 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.821 0.343 . . . . 75.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 71.310000000000002 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 61.100000000000001 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 14' ' ' ILE . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 111.113 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.523 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 62.549999999999997 110.86 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 55.350000000000001 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD22 HD13 ' A' ' 56' ' ' LEU . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 60.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 56' ' ' LEU . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 62.32 111.087 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 42' ' ' LEU . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.132 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.219999999999999 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CG ' HD11 ' A' ' 21' ' ' LEU . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.319999999999993 110.89 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.861 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.150000000000006 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 42' ' ' LEU . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.409999999999997 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 62.420000000000002 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 55.030000000000001 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.229999999999997 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.129999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SG ' ' A' ' 28' ' ' CYS . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 62.420000000000002 112.457 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.803 0.335 . . . . 64.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' A' ' 21' ' ' LEU . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 43.210000000000001 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 63.509999999999998 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 42' ' ' LEU . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 56' ' ' LEU . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.400000000000006 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 43.310000000000002 111.094 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.402 . . . . 73.120000000000005 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.019999999999996 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 64.109999999999999 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.130000000000003 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 62.119999999999997 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.549999999999997 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.430000000000007 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 63.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 43.210000000000001 111.129 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.899 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.310000000000002 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 7' ' ' PHE . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 21.52 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.825 HG21 HD11 ' A' ' 35' ' ' ILE . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.25 111.119 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 74.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 54.439999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.329999999999998 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.857 0.36 . . . . 65.019999999999996 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.239999999999995 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 14' ' ' ILE . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.104 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 56' ' ' LEU . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 55.509999999999998 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 71.040000000000006 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 56' ' ' LEU . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 53' ' ' VAL . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.520000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.310000000000002 111.103 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 60.200000000000003 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 61.409999999999997 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.105 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 61.439999999999998 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 53.420000000000002 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 72.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.34 . . . . 72.25 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.94 -145.15 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 63.109999999999999 112.489 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -109.97 34.3 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 63.310000000000002 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.420000000000002 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' CD2' HD21 ' A' ' 42' ' ' LEU . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.450000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.802 HG23 ' CD1' ' A' ' 31' ' ' PHE . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 45.420000000000002 111.128 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.43 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.44 8.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.17 71.49 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 75.540000000000006 112.489 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -158.71 116.24 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 64.349999999999994 110.828 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -21.05 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.329999999999998 110.911 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.15 -44.45 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.146 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.0 -51.55 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 14' ' ' ILE . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 44.530000000000001 110.848 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.099999999999994 111.114 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.100000000000001 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 56' ' ' LEU . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.56 -15.04 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -50.19 -60.91 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 110.892 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.69 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 61.229999999999997 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 97.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 63.509999999999998 112.494 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -51.93 -29.69 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 72.329999999999998 110.941 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.52 27.67 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 52.439999999999998 112.492 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -51.84 160.48 1.11 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.653 0.739 . . . . 72.140000000000001 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -30.39 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 72.409999999999997 112.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.74 -42.31 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 74.010000000000005 110.917 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 57' ' ' ARG . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 43.340000000000003 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 42' ' ' LEU . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 110.904 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.547 ' HG3' HG12 ' A' ' 53' ' ' VAL . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 111.075 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 64.299999999999997 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.448 HD13 HD11 ' A' ' 35' ' ' ILE . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 63.399999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.019999999999996 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 63.140000000000001 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 42.98 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 33.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.847 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 110.913 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.328 . . . . 52.200000000000003 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.29 -130.4 10.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 61.009999999999998 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -67.62 -33.24 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.049999999999997 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.439999999999998 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 62.119999999999997 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.753 HG21 HD11 ' A' ' 35' ' ' ILE . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 63.340000000000003 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 60.25 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 70' ' ' TYR . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.76 -12.0 61.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -76.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.540000000000006 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.8 t -174.61 146.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -37.54 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.921 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.23 20.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 54.439999999999998 111.081 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.46 -34.86 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.209999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 61.200000000000003 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 44.240000000000002 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.210000000000001 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 14' ' ' ILE . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 55.310000000000002 111.161 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.875 HD22 HD13 ' A' ' 56' ' ' LEU . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.945 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.78 -19.09 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -51.17 -51.05 57.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.941 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 58.6 40.34 23.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.865 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.97 58.06 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 74.420000000000002 112.443 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp 58.2 34.19 23.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 72.219999999999999 110.915 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.82 70.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 72.400000000000006 112.483 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.24 160.31 75.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 71.129999999999995 110.852 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.43 30.9 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 72.230000000000004 112.37 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -56.64 -35.3 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 50.210000000000001 110.87 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 50.520000000000003 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 42' ' ' LEU . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 55.219999999999999 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 15' ' ' LYS . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.239999999999995 111.167 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 62.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.929 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.68 44.99 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.92 34.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 54.009999999999998 110.868 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.049999999999997 110.904 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.827 0.346 . . . . 30.239999999999998 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.69 -133.46 21.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 53.299999999999997 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.26 29.22 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.524 ' CH2' HD13 ' A' ' 56' ' ' LEU . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.684 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 110.929 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 51.130000000000003 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG21 HD11 ' A' ' 35' ' ' ILE . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 53.329999999999998 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 -10.0 56.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.72 -68.74 1.49 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 64.420000000000002 112.531 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 140.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 71.340000000000003 110.875 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.8 25.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 110.878 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.81 -36.95 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 34.32 111.092 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.29 -33.36 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.540000000000006 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 61.130000000000003 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.149999999999999 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 55.219999999999999 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.691 HD11 HG21 ' A' ' 14' ' ' ILE . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 63.43 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 63.539999999999999 110.867 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 56' ' ' LEU . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.08 -15.26 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -64.71 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.913 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 179.05 -66.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 75.5 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.03 -48.5 3.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 62.43 112.545 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -74.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 73.239999999999995 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.56 78.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 64.409999999999997 112.482 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.93 77.54 22.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 72.230000000000004 110.867 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.31 35.94 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.673 2.249 . . . . 71.530000000000001 112.322 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.7 -33.33 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 63.149999999999999 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG11 ' O ' ' A' ' 42' ' ' LEU . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.108 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.888 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 54.539999999999999 111.105 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.299999999999997 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 52.539999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 46.2 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -179.82 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.876 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 70.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.6 -133.79 38.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 61.520000000000003 112.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.24 27.05 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HD2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.845 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' A' ' 31' ' ' PHE . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 62.350000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 53.229999999999997 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.31 -18.36 3.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.75 -38.67 45.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 53.200000000000003 112.493 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.77 119.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.239999999999995 110.848 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -28.3 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.109999999999999 110.895 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.66 -33.35 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 63.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.39 -33.06 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.239999999999995 110.883 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.510000000000005 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 61.350000000000001 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.43 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 43.539999999999999 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.349999999999994 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 60.399999999999999 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 56' ' ' LEU . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.913 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.71 -18.69 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -76.27 -24.31 54.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.928 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 74.030000000000001 110.874 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.73 108.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.19 54.87 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 64.200000000000003 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.52 -77.79 0.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 71.219999999999999 112.527 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 50.01 77.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 65.129999999999995 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -15.6 37.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 70.450000000000003 112.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.47 -45.66 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 72.230000000000004 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 61.539999999999999 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 72.230000000000004 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD22 ' HD2' ' A' ' 7' ' ' PHE . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 34.399999999999999 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.030000000000001 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 64.450000000000003 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.200000000000003 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -133.87 41.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.5 32.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 64.329999999999998 110.86 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 110.894 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.85 0.357 . . . . 74.439999999999998 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.34 -130.5 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 73.299999999999997 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.05 28.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 62.229999999999997 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' A' ' 42' ' ' LEU . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 53.240000000000002 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.020000000000003 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.776 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.030000000000001 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 ' CE2' ' A' ' 70' ' ' TYR . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.96 -16.07 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.84 -43.85 54.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 73.299999999999997 112.441 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.61 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 61.049999999999997 110.807 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.25 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 71.430000000000007 110.883 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.77 -32.86 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.510000000000005 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -32.68 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 31.109999999999999 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 62.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 53.409999999999997 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.329999999999998 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 64.040000000000006 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 50.119999999999997 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 56' ' ' LEU . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 72.319999999999993 110.933 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.76 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.530000000000001 111.107 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -51.59 -61.14 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.030000000000001 110.915 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 61.7 58.17 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 73.209999999999994 110.879 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.73 93.58 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 74.310000000000002 112.501 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tptm 51.61 69.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.869 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.64 -125.06 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.109999999999999 112.484 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.8 OUTLIER 179.46 59.41 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 75.310000000000002 110.86 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 43.210000000000001 112.359 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -68.68 -27.43 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.909 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.65 HG12 ' HG3' ' A' ' 57' ' ' ARG . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 42' ' ' LEU . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.65 ' HG3' HG12 ' A' ' 53' ' ' VAL . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 64.25 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 61.210000000000001 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.329999999999998 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 55.149999999999999 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 53.240000000000002 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.646 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -135.07 42.37 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 64.150000000000006 110.841 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.891 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.85 0.357 . . . . 74.450000000000003 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.74 -140.95 33.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 73.549999999999997 112.485 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -97.62 29.47 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 72.510000000000005 110.927 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.911 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 38' ' ' PHE . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.876 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 43.130000000000003 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' CD1' ' A' ' 31' ' ' PHE . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 111.101 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 61.520000000000003 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.400000000000006 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 55.020000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.36 7.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 71.340000000000003 112.508 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.69 36.78 1.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 74.409999999999997 112.538 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -118.7 115.96 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 45.109999999999999 110.841 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -20.69 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 65.519999999999996 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.54 -45.44 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.14 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -50.88 -51.84 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.871 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CD1' HG23 ' A' ' 14' ' ' ILE . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.439999999999998 110.905 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.399999999999999 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -26.53 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.32 111.117 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -52.07 -34.82 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.955 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttt 63.64 20.36 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.58 37.08 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 71.409999999999997 112.513 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -58.69 -21.15 53.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 63.32 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.83 -28.18 22.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 65.209999999999994 112.485 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.53 157.78 36.47 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.588 0.709 . . . . 63.439999999999998 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.73 37.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 73.319999999999993 112.384 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 53' ' ' VAL . 16.5 pt-20 -50.8 -49.05 59.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 51.109999999999999 111.12 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 63.549999999999997 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 42' ' ' LEU . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 63.539999999999999 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.150000000000006 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.239999999999995 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.903 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 44.240000000000002 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.07 41.16 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 65.340000000000003 110.847 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.16 32.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 63.140000000000001 110.883 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.779 0.324 . . . . 73.420000000000002 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.41 -128.25 46.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 73.219999999999999 112.476 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -111.72 27.39 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 51.240000000000002 110.828 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 53.240000000000002 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' CE2' HD21 ' A' ' 42' ' ' LEU . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.230000000000004 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.200000000000003 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 53.310000000000002 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.813 HG23 ' CD1' ' A' ' 31' ' ' PHE . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 64.299999999999997 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' CG ' ' A' ' 70' ' ' TYR . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.0 -30.61 7.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 44.549999999999997 112.484 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.04 31.27 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 71.329999999999998 112.479 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -113.01 116.67 30.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 61.329999999999998 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -20.69 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.83 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -45.97 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 53.420000000000002 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -50.68 -52.18 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.510000000000005 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 51.530000000000001 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 51.119999999999997 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CD1' HG23 ' A' ' 14' ' ' ILE . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.210000000000001 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG23 ' HB1' ' A' ' 60' ' ' ALA . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.450000000000003 111.124 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 64.209999999999994 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.017 HD22 HD13 ' A' ' 56' ' ' LEU . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.91 49.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 24.309999999999999 111.087 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.52 -64.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 61.210000000000001 110.901 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 63.38 44.57 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.36 60.33 3.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 25.530000000000001 112.439 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt 59.37 26.17 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 74.230000000000004 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.37 50.45 67.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 53.130000000000003 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.21 160.33 75.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 74.049999999999997 110.845 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.22 36.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 64.319999999999993 112.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -65.44 -46.73 78.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 74.230000000000004 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.8 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.450000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 53.329999999999998 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 HD22 ' A' ' 42' ' ' LEU . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 51.32 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 64.299999999999997 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 63.520000000000003 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB1' HG23 ' A' ' 35' ' ' ILE . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 111.131 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.310000000000002 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.329999999999998 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.749 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -34.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 64.209999999999994 110.857 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.78 34.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.892 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.823 0.344 . . . . 74.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.81 -127.63 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 28.83 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.959 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 73.340000000000003 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 56' ' ' LEU . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 73.010000000000005 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.637 HG21 HD11 ' A' ' 35' ' ' ILE . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 55.520000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 70.450000000000003 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 70' ' ' TYR . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.18 7.29 62.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 -65.55 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 61.219999999999999 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 72.099999999999994 110.858 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -50.03 -35.41 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.867 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -35.85 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.36 -33.52 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 71.409999999999997 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' ' NH2' ' A' ' 71' ' ' ARG . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 73.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 111.155 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 34.210000000000001 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 61.530000000000001 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.010000000000005 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.219999999999999 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 56' ' ' LEU . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.923 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.46 -22.2 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 60.229999999999997 111.095 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HE2' HD23 ' A' ' 42' ' ' LEU . 12.0 m-85 -58.84 -32.13 69.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.933 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.6 21.86 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 71.439999999999998 110.88 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.28 33.19 5.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.25 112.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -21.86 50.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 73.200000000000003 110.875 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.73 -28.12 21.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 44.149999999999999 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -104.95 158.97 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 73.200000000000003 110.885 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.6 37.36 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 73.25 112.374 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 53' ' ' VAL . 13.6 pt-20 -51.61 -48.08 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.230000000000004 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 52' ' ' GLU . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 52.240000000000002 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD23 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 55.329999999999998 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.239999999999995 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 64.329999999999998 110.937 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.697 ' NH2' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -136.4 45.74 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 64.340000000000003 110.819 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -179.24 34.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.842 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.881 -179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 71.209999999999994 110.855 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.25 -125.46 9.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -35.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 64.219999999999999 110.855 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 61.219999999999999 111.092 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 62.240000000000002 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.209999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' PHE . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.030000000000001 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.120000000000005 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 62.409999999999997 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.209999999999994 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 64.439999999999998 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.52 16.79 58.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.24 -62.3 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 63.100000000000001 112.435 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.65 137.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 62.439999999999998 110.855 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -50.34 -34.59 24.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.79 -35.69 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 62.109999999999999 111.109 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -51.3 -33.1 27.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 110.861 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 52.350000000000001 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 14' ' ' ILE . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.113 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.109999999999999 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.530000000000001 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 64.019999999999996 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.131 HD22 HD13 ' A' ' 56' ' ' LEU . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 -15.05 49.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.03 -59.48 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.916 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -161.29 -48.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.109999999999999 110.932 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.36 162.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 71.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.337 . . . . 71.109999999999999 110.877 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.5 37.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 53.32 112.477 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 5.1 p-10 -110.38 90.78 10.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 71.129999999999995 110.874 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.1 Cg_endo -69.83 -13.97 35.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 62.409999999999997 112.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -51.53 -42.1 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.91 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.786 ' HA ' HD12 ' A' ' 56' ' ' LEU . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.119999999999997 111.101 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 31.030000000000001 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.131 HD13 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 34.109999999999999 111.059 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 54.32 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.32 111.163 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 54.119999999999997 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -136.28 45.86 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.46 34.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.873 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.914 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.771 0.32 . . . . 72.239999999999995 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.57 -133.91 38.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 64.120000000000005 112.51 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -100.82 26.82 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 73.299999999999997 110.877 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 73.409999999999997 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 7' ' ' PHE . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.530000000000001 110.94 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.5 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 35' ' ' ILE . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 70.010000000000005 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 51.240000000000002 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 70' ' ' TYR . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.28 25.12 22.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.21 -85.84 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.439999999999998 112.523 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.91 153.06 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.109999999999999 110.833 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.38 -29.12 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 70.25 110.933 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 -43.29 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 65.239999999999995 111.086 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -36.51 29.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.931 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 42.100000000000001 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.25 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 14' ' ' ILE . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 65.310000000000002 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 56' ' ' LEU . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.92 57.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.040000000000006 110.943 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm 59.21 91.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 65.409999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.81 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 63.039999999999999 112.465 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.24 64.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.9 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.62 -19.03 50.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.329999999999998 112.469 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 39.81 71.17 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 74.230000000000004 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.32 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 72.129999999999995 112.329 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -61.49 -35.86 78.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.837 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.808 ' HA ' HD12 ' A' ' 56' ' ' LEU . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 53.140000000000001 111.113 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 55.43 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 42' ' ' LEU . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 64.239999999999995 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.409999999999997 111.095 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 34.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.32 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 111.132 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 71.010000000000005 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 35.020000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 15.15 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.914 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -136.01 45.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 55.219999999999999 110.854 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.35 34.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 75.540000000000006 110.852 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.792 0.33 . . . . 72.219999999999999 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.44 -139.96 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 44.130000000000003 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -105.24 27.14 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 51.509999999999998 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 56' ' ' LEU . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.927 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 52.439999999999998 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 30.34 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.791 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CD2' ' A' ' 70' ' ' TYR . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.62 -16.8 4.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -41.88 53.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.707 . . . . 45.310000000000002 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.75 120.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 71.340000000000003 110.864 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -28.73 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 65.310000000000002 110.922 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.3 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.200000000000003 111.119 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 -32.24 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 53.25 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.791 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 61.340000000000003 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 40.039999999999999 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 56' ' ' LEU . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.77 -24.3 59.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.98 -65.06 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.049999999999997 110.936 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 tttm 50.39 63.92 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 73.409999999999997 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.32 124.26 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 54.329999999999998 112.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -32.42 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 61.119999999999997 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.43 15.65 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 62.219999999999999 112.508 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -113.31 75.42 2.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 54.039999999999999 110.871 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -14.41 36.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 62.119999999999997 112.376 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -49.88 -37.04 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 110.884 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 64.150000000000006 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 33.329999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.922 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 70.239999999999995 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.230000000000004 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 63.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 14' ' ' ILE . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.219999999999999 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 55.439999999999998 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.229999999999997 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -33.51 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.841 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.06 32.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 51.100000000000001 110.905 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.875 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.835 0.35 . . . . 75.430000000000007 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.65 -140.86 43.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 72.109999999999999 112.489 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -98.18 27.18 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 62.43 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 52.409999999999997 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.606 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.848 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.921 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 11' ' ' LEU . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.310000000000002 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.130000000000003 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 70' ' ' TYR . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.520000000000003 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.12 -34.16 4.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.19 28.76 4.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 71.319999999999993 112.499 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -117.72 114.41 23.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 75.230000000000004 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -19.39 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.07 -47.17 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.8 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.129999999999995 110.885 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 14' ' ' ILE . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.340000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.519999999999996 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 55.340000000000003 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 56' ' ' LEU . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 64.219999999999999 110.904 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.59 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -86.41 -64.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.430000000000007 110.896 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.15 83.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 110.909 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 -121.79 27.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 61.109999999999999 112.485 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttm 51.33 70.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 73.409999999999997 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.11 13.75 83.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 70.450000000000003 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -171.2 76.68 0.53 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 54.039999999999999 110.888 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -15.14 37.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 73.150000000000006 112.36 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -32.35 28.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 51.32 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 42' ' ' LEU . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.96 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 53.399999999999999 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 111.11 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 60.520000000000003 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 45.439999999999998 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -134.24 41.9 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.63 33.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.863 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.797 0.332 . . . . 72.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.81 -146.73 16.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 74.120000000000005 112.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.4 29.72 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.109999999999999 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.430000000000007 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 71.129999999999995 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 62.210000000000001 110.955 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 45.240000000000002 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.100000000000001 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' HG23 ' A' ' 63' ' ' ILE . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.349999999999994 110.908 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.349999999999994 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 53.140000000000001 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.16 -15.24 56.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.87 -86.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 64.150000000000006 112.493 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -160.51 153.7 21.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 73.530000000000001 110.818 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.1 -35.52 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.549999999999997 110.895 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.76 -35.86 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 53.439999999999998 111.094 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.92 -35.36 32.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 42.399999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 53.130000000000003 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 65.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.46 57.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 111.147 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -59.54 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 72.030000000000001 110.933 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -179.68 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 61.130000000000003 110.876 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 -58.94 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 72.439999999999998 112.478 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -69.95 -21.78 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 74.450000000000003 110.873 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.94 -58.44 10.51 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 54.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -143.98 158.73 55.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 72.530000000000001 110.932 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.96 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.28 . . . . 62.299999999999997 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.42 -49.11 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 64.010000000000005 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' LEU . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.100000000000001 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.105 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.030000000000001 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD11 ' HD3' ' A' ' 15' ' ' LYS . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.310000000000002 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 60.119999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 65.120000000000005 110.943 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.65 43.72 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.34 33.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 110.904 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.862 0.363 . . . . 64.349999999999994 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.87 -121.66 5.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.757 . . . . 34.039999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -105.11 28.27 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.129999999999995 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 42' ' ' LEU . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.329999999999998 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 56' ' ' LEU . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.817 HG23 ' CD1' ' A' ' 31' ' ' PHE . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 70' ' ' TYR . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.29 12.14 58.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.17 -60.7 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 52.240000000000002 112.493 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.97 134.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 60.109999999999999 110.911 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -33.98 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.66 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 61.539999999999999 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.92 -32.25 20.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 70.549999999999997 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.817 ' CD1' HG23 ' A' ' 14' ' ' ILE . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 54.140000000000001 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.156 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 51.030000000000001 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 45.119999999999997 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 45.229999999999997 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 56' ' ' LEU . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.109999999999999 110.887 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 44.409999999999997 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.45 66.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -51.79 -59.73 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 73.230000000000004 110.941 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 63.07 64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 65.409999999999997 110.932 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.08 -158.97 35.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 64.010000000000005 112.474 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.64 80.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 71.209999999999994 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.27 -4.88 79.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 70.109999999999999 112.51 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.534 HD22 HG21 ' A' ' 53' ' ' VAL . 3.8 m120 50.82 62.2 11.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 75.239999999999995 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 61.119999999999997 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.46 -24.47 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 70.219999999999999 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.65 ' HA ' HD12 ' A' ' 56' ' ' LEU . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.827 HD13 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 54.420000000000002 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.5 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.310000000000002 111.125 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.919 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.03 11.41 16.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 63.420000000000002 110.91 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 75.120000000000005 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.71 -151.41 52.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 54.530000000000001 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -96.26 27.08 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 65.439999999999998 110.862 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CH2' HD13 ' A' ' 56' ' ' LEU . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.703 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.200000000000003 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.310000000000002 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 60.200000000000003 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.892 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.38 5.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.46 75.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 74.329999999999998 112.495 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 m -164.6 114.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 72.400000000000006 110.865 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -23.62 41.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.299999999999997 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -49.87 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 62.32 111.119 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -50.76 -50.75 55.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 51.049999999999997 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.409999999999997 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 61.009999999999998 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.340000000000003 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 71.200000000000003 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 61.450000000000003 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD13 HD23 ' A' ' 56' ' ' LEU . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.89 -16.94 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.210000000000001 111.08 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HE2' HD23 ' A' ' 42' ' ' LEU . 4.0 m-85 -53.46 -64.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 63.340000000000003 110.949 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.75 66.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 71.049999999999997 110.861 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.6 49.22 3.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 55.399999999999999 112.547 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttp 50.8 87.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.400000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 57.81 6.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.673 -0.775 . . . . 74.230000000000004 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -111.76 78.98 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 73.450000000000003 110.899 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.86 36.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 61.520000000000003 112.373 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.07 -36.88 66.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 70.230000000000004 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 42' ' ' LEU . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 72.549999999999997 111.151 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 65.340000000000003 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 18' ' ' CYS . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 52.340000000000003 111.102 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 42.329999999999998 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 54.200000000000003 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 47.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.120000000000005 110.889 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.68 33.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 54.340000000000003 110.823 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.239999999999995 110.877 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.38 -128.15 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 61.130000000000003 112.521 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -54.56 -36.7 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 51.32 110.818 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 63' ' ' ILE . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 63.350000000000001 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 53.229999999999997 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.51 36.91 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 61.439999999999998 112.465 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.15 -58.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 73.109999999999999 112.51 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.45 139.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 74.400000000000006 110.849 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -58.13 -29.07 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.129999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.33 -39.75 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 61.539999999999999 111.133 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -34.87 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 110.906 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 53.549999999999997 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 51.520000000000003 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 52.25 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 55.32 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.400000000000006 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 56' ' ' LEU . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.929 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.38 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 61.100000000000001 111.108 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.57 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.956 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -178.37 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 75.510000000000005 110.899 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.9 -60.95 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 62.219999999999999 112.491 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -51.46 -47.99 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 42.299999999999997 110.902 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.2 17.48 34.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 54.229999999999997 112.457 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -139.29 80.52 22.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 71.540000000000006 110.923 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.49 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 72.040000000000006 112.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.17 -33.77 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.677 ' HA ' HD12 ' A' ' 56' ' ' LEU . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' ' CZ2' ' A' ' 4' ' ' TRP . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 111.094 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 42' ' ' LEU . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 43.43 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ALA . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.150000000000006 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 62.229999999999997 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.75 54.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -179.9 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.839 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.892 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 1.6 mtt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.854 0.359 . . . . 64.120000000000005 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.18 -118.06 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 51.43 112.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -81.87 -29.22 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 1' ' ' MET . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 111.142 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 55.549999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 110.908 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.409999999999997 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' HH11 ' A' ' 17' ' ' ARG . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.785 HG23 ' CD1' ' A' ' 31' ' ' PHE . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.299999999999997 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 70.209999999999994 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.601 HH11 ' HB1' ' A' ' 13' ' ' ALA . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 70.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.59 -31.29 7.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 43.520000000000003 112.492 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.8 70.77 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 54.329999999999998 112.444 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -160.24 116.21 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 71.400000000000006 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -21.01 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 110.904 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.09 -44.54 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 51.310000000000002 111.075 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.91 -51.43 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 52.039999999999999 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 63.299999999999997 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CD1' HG23 ' A' ' 14' ' ' ILE . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 55.100000000000001 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 62.509999999999998 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.565 ' CD1' HD13 ' A' ' 63' ' ' ILE . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 65.420000000000002 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.549999999999997 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.009999999999998 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 56' ' ' LEU . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -28.32 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.510000000000005 111.094 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -51.73 -59.95 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 73.349999999999994 110.913 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.41 -46.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 64.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.16 172.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 74.439999999999998 112.498 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt 70.7 -70.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 72.209999999999994 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.2 -64.26 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 64.409999999999997 112.485 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 18.3 m120 -50.68 108.71 1.09 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 64.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.6 Cg_endo -69.73 -15.85 37.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 71.230000000000004 112.321 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.22 -46.08 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.822 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.120000000000005 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 42' ' ' LEU . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 61.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 35' ' ' ILE . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 65.25 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.703 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -135.25 43.09 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 73.140000000000001 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.92 33.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.019999999999996 110.871 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.879 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.821 0.343 . . . . 74.450000000000003 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.37 -143.09 46.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 72.439999999999998 112.476 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -65.68 -30.44 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 44.210000000000001 110.815 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 65.540000000000006 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 45.039999999999999 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 35' ' ' ILE . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.049999999999997 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 70' ' ' TYR . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.04 13.51 66.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.32 112.484 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.2 -69.01 1.42 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 63.219999999999999 112.459 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.82 141.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.439999999999998 110.848 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.11 -36.05 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.94 -36.51 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.09 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.46 -33.94 33.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 71.310000000000002 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 61.100000000000001 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 14' ' ' ILE . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 111.113 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.523 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 62.549999999999997 110.86 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 55.350000000000001 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD22 HD13 ' A' ' 56' ' ' LEU . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.55 -21.51 57.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -51.42 -60.32 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.937 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.6 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 73.030000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.07 -61.77 4.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 33.420000000000002 112.52 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -51.98 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.439999999999998 110.934 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.01 -19.96 78.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 42.420000000000002 112.519 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -114.94 73.49 3.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.647 0.737 . . . . 71.219999999999999 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.72 37.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 75.129999999999995 112.325 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.46 -30.4 52.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 60.340000000000003 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 56' ' ' LEU . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 62.32 111.087 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 42' ' ' LEU . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.132 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.219999999999999 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CG ' HD11 ' A' ' 21' ' ' LEU . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.319999999999993 110.89 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.0 30.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.861 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 t60 64.76 24.6 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 110.869 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 74.120000000000005 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.27 -137.27 47.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 24.050000000000001 112.49 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.67 30.34 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.150000000000006 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 42' ' ' LEU . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.409999999999997 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 62.420000000000002 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 55.030000000000001 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.229999999999997 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.129999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SG ' ' A' ' 28' ' ' CYS . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.82 28.16 3.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 62.420000000000002 112.457 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.38 29.96 11.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 72.209999999999994 112.505 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -136.69 123.58 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 51.219999999999999 110.879 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -19.9 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 71.519999999999996 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -39.65 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 54.210000000000001 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -49.94 -41.71 46.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 64.140000000000001 110.874 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' A' ' 21' ' ' LEU . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 43.210000000000001 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 63.509999999999998 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 42' ' ' LEU . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 56' ' ' LEU . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.400000000000006 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.66 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 43.310000000000002 111.094 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.02 -65.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.939 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? 49.92 57.45 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 72.129999999999995 110.874 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 123.22 6.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.210000000000001 112.48 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -51.27 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 74.209999999999994 110.87 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.37 27.24 12.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 71.340000000000003 112.528 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.07 80.96 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 62.539999999999999 110.946 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -14.57 36.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 62.210000000000001 112.356 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -55.81 -31.24 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.019999999999996 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 64.109999999999999 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.130000000000003 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 62.119999999999997 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.549999999999997 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.430000000000007 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 63.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.39 44.39 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -177.13 33.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.409999999999997 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.901 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.801 0.334 . . . . 75.540000000000006 110.894 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.19 -126.19 37.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 74.349999999999994 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -69.14 -38.19 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 1' ' ' MET . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 43.210000000000001 111.129 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.899 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.310000000000002 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 7' ' ' PHE . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 21.52 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.825 HG21 HD11 ' A' ' 35' ' ' ILE . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.25 111.119 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 74.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 54.439999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.329999999999998 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.59 -14.1 78.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.02 -76.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.496 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.95 146.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.43 32.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 72.450000000000003 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -37.12 19.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 63.130000000000003 111.063 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.39 -34.09 32.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.019999999999996 110.93 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.239999999999995 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 14' ' ' ILE . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.104 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 56' ' ' LEU . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 55.509999999999998 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.86 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.9 -60.72 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.319999999999993 110.898 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 63.219999999999999 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.45 -56.64 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 55.119999999999997 112.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -51.86 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.922 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.23 -16.39 79.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 74.019999999999996 112.482 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -113.66 74.27 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 54.539999999999999 110.843 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -15.67 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 61.200000000000003 112.358 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.89 -34.71 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.040000000000006 110.883 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 56' ' ' LEU . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 53' ' ' VAL . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.520000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.310000000000002 111.103 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 60.200000000000003 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 61.409999999999997 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.105 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 61.439999999999998 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 53.420000000000002 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 72.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 29.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 t60 65.34 25.47 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.837 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.540000000000006 110.845 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 63.310000000000002 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.420000000000002 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.55 ' CD2' HD21 ' A' ' 42' ' ' LEU . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.450000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.802 HG23 ' CD1' ' A' ' 31' ' ' PHE . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 45.420000000000002 111.128 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.43 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 62.240000000000002 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 14' ' ' ILE . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 44.530000000000001 110.848 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.099999999999994 111.114 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.100000000000001 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 56' ' ' LEU . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.899 0.381 . . . . 74.010000000000005 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 57' ' ' ARG . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 43.340000000000003 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 42' ' ' LEU . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 110.904 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.547 ' HG3' HG12 ' A' ' 53' ' ' VAL . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 111.075 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 64.299999999999997 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.448 HD13 HD11 ' A' ' 35' ' ' ILE . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 63.399999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.019999999999996 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 63.140000000000001 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.049999999999997 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.439999999999998 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 62.119999999999997 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.753 HG21 HD11 ' A' ' 35' ' ' ILE . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 63.340000000000003 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 60.25 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 70' ' ' TYR . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.801 0.334 . . . . 73.209999999999994 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 61.200000000000003 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 44.240000000000002 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.210000000000001 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 14' ' ' ILE . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 55.310000000000002 111.161 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.875 HD22 HD13 ' A' ' 56' ' ' LEU . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.945 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.927 0.394 . . . . 50.210000000000001 110.87 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 50.520000000000003 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 42' ' ' LEU . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 55.219999999999999 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 15' ' ' LYS . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.239999999999995 111.167 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 62.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.929 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.88 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.524 ' CH2' HD13 ' A' ' 56' ' ' LEU . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.684 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 110.929 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 51.130000000000003 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.691 HG21 HD11 ' A' ' 35' ' ' ILE . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 53.329999999999998 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.87 0.367 . . . . 75.540000000000006 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 61.130000000000003 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.149999999999999 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 55.219999999999999 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.691 HD11 HG21 ' A' ' 14' ' ' ILE . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 63.43 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 63.539999999999999 110.867 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 56' ' ' LEU . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.878 0.371 . . . . 63.149999999999999 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.656 HG11 ' O ' ' A' ' 42' ' ' LEU . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.108 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.888 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 54.539999999999999 111.105 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.299999999999997 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 52.539999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.340000000000003 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HD2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.845 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' A' ' 31' ' ' PHE . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 62.350000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 53.229999999999997 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.813 0.34 . . . . 75.239999999999995 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.510000000000005 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 61.350000000000001 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.43 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 43.539999999999999 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.349999999999994 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 60.399999999999999 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 56' ' ' LEU . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.913 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.911 0.386 . . . . 72.230000000000004 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 61.539999999999999 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 72.230000000000004 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD22 ' HD2' ' A' ' 7' ' ' PHE . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 34.399999999999999 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.030000000000001 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 64.450000000000003 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.200000000000003 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 62.229999999999997 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' A' ' 42' ' ' LEU . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.665 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 53.240000000000002 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.020000000000003 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.776 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.030000000000001 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 ' CE2' ' A' ' 70' ' ' TYR . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 72.140000000000001 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 31.109999999999999 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 62.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 53.409999999999997 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.329999999999998 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 64.040000000000006 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 50.119999999999997 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 56' ' ' LEU . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 72.319999999999993 110.933 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.530000000000001 111.107 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.851 0.358 . . . . 73.420000000000002 110.909 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.65 HG12 ' HG3' ' A' ' 57' ' ' ARG . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 42' ' ' LEU . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.65 ' HG3' HG12 ' A' ' 53' ' ' VAL . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 64.25 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 61.210000000000001 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.329999999999998 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 55.149999999999999 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 53.240000000000002 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.646 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.894 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 72.510000000000005 110.927 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.911 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 38' ' ' PHE . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.876 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 43.130000000000003 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' CD1' ' A' ' 31' ' ' PHE . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 111.101 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 61.520000000000003 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.400000000000006 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 55.020000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 71.340000000000003 112.508 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.787 0.327 . . . . 74.310000000000002 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CD1' HG23 ' A' ' 14' ' ' ILE . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.439999999999998 110.905 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.399999999999999 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.32 111.117 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 53' ' ' VAL . 16.5 pt-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.888 0.375 . . . . 74.140000000000001 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 51.109999999999999 111.12 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 63.549999999999997 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 42' ' ' LEU . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 63.539999999999999 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.150000000000006 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.239999999999995 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 44.240000000000002 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 65.340000000000003 110.847 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 51.240000000000002 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 53.240000000000002 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' CE2' HD21 ' A' ' 42' ' ' LEU . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.230000000000004 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.200000000000003 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 53.310000000000002 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.813 HG23 ' CD1' ' A' ' 31' ' ' PHE . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 64.299999999999997 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' CG ' ' A' ' 70' ' ' TYR . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 44.549999999999997 112.484 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.826 0.346 . . . . 73.510000000000005 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 51.530000000000001 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 51.119999999999997 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CD1' HG23 ' A' ' 14' ' ' ILE . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.210000000000001 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG23 ' HB1' ' A' ' 60' ' ' ALA . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.450000000000003 111.124 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 64.209999999999994 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.017 HD22 HD13 ' A' ' 56' ' ' LEU . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 24.309999999999999 111.087 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.8 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.450000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 53.329999999999998 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 HD22 ' A' ' 42' ' ' LEU . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 51.32 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 64.299999999999997 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 63.520000000000003 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB1' HG23 ' A' ' 35' ' ' ILE . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 111.131 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.310000000000002 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.329999999999998 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.749 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 64.209999999999994 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.959 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 73.340000000000003 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 56' ' ' LEU . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 73.010000000000005 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.637 HG21 HD11 ' A' ' 35' ' ' ILE . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 55.520000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 70.450000000000003 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 70' ' ' TYR . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.845 0.355 . . . . 71.409999999999997 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' ' NH2' ' A' ' 71' ' ' ARG . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 73.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 111.155 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 34.210000000000001 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 61.530000000000001 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.010000000000005 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.219999999999999 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 56' ' ' LEU . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.923 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 60.229999999999997 111.095 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 53' ' ' VAL . 13.6 pt-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.866 0.365 . . . . 72.230000000000004 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 52' ' ' GLU . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 52.240000000000002 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD23 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 55.329999999999998 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.239999999999995 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 64.329999999999998 110.937 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.697 ' NH2' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 64.340000000000003 110.819 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.858 0.361 . . . . 64.219999999999999 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 61.219999999999999 111.092 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 62.240000000000002 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.209999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' PHE . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.030000000000001 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.120000000000005 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 62.409999999999997 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.209999999999994 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 64.439999999999998 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.818 0.342 . . . . 72.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 52.350000000000001 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 14' ' ' ILE . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.113 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.109999999999999 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.530000000000001 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 64.019999999999996 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.131 HD22 HD13 ' A' ' 56' ' ' LEU . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 72.450000000000003 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.786 ' HA ' HD12 ' A' ' 56' ' ' LEU . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.119999999999997 111.101 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 31.030000000000001 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.131 HD13 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 34.109999999999999 111.059 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 54.32 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.32 111.163 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 54.119999999999997 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.913 0.387 . . . . 73.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 73.409999999999997 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 7' ' ' PHE . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.530000000000001 110.94 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.5 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 35' ' ' ILE . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 70.010000000000005 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 51.240000000000002 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 70' ' ' TYR . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 73.5 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 42.100000000000001 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.25 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 14' ' ' ILE . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 65.310000000000002 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 56' ' ' LEU . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 70.200000000000003 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.808 ' HA ' HD12 ' A' ' 56' ' ' LEU . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 53.140000000000001 111.113 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 55.43 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 42' ' ' LEU . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 64.239999999999995 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.409999999999997 111.095 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 34.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.32 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 111.132 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 71.010000000000005 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 35.020000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 15.15 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.914 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 55.219999999999999 110.854 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 51.509999999999998 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 56' ' ' LEU . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.927 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 52.439999999999998 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 30.34 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.791 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CD2' ' A' ' 70' ' ' TYR . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.848 0.356 . . . . 73.400000000000006 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 53.25 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.791 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 61.340000000000003 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 40.039999999999999 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 56' ' ' LEU . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.908 0.385 . . . . 75.230000000000004 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 64.150000000000006 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 33.329999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.922 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 70.239999999999995 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.230000000000004 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 63.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 14' ' ' ILE . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.219999999999999 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 55.439999999999998 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.229999999999997 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.841 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 62.43 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 52.409999999999997 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.606 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.848 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.921 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 11' ' ' LEU . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.310000000000002 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.130000000000003 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 70' ' ' TYR . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.520000000000003 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 71.129999999999995 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 14' ' ' ILE . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.340000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.519999999999996 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 55.340000000000003 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 56' ' ' LEU . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 64.219999999999999 110.904 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.365 . . . . 70.200000000000003 110.879 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 51.32 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 42' ' ' LEU . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.96 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 53.399999999999999 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 111.11 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 60.520000000000003 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 45.439999999999998 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.109999999999999 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.430000000000007 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 71.129999999999995 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 62.210000000000001 110.955 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 45.240000000000002 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.100000000000001 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' HG23 ' A' ' 63' ' ' ILE . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.349999999999994 110.908 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.349999999999994 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 53.140000000000001 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 42.399999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 53.130000000000003 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 65.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 111.147 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.924 0.392 . . . . 71.25 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 64.010000000000005 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' LEU . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.100000000000001 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.105 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.030000000000001 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD11 ' HD3' ' A' ' 15' ' ' LYS . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.310000000000002 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 60.119999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 65.120000000000005 110.943 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.129999999999995 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 42' ' ' LEU . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.329999999999998 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 56' ' ' LEU . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.817 HG23 ' CD1' ' A' ' 31' ' ' PHE . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 70' ' ' TYR . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.809 0.337 . . . . 70.549999999999997 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.817 ' CD1' HG23 ' A' ' 14' ' ' ILE . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 54.140000000000001 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.156 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 51.030000000000001 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 45.119999999999997 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 45.229999999999997 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 56' ' ' LEU . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.109999999999999 110.887 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 44.409999999999997 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.914 0.388 . . . . 70.219999999999999 110.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.65 ' HA ' HD12 ' A' ' 56' ' ' LEU . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.827 HD13 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 54.420000000000002 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.5 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.310000000000002 111.125 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.919 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.898 0.38 . . . . 65.439999999999998 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CH2' HD13 ' A' ' 56' ' ' LEU . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.703 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.200000000000003 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.310000000000002 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 60.200000000000003 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.892 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.83 0.347 . . . . 62.43 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 51.049999999999997 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.409999999999997 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 61.009999999999998 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.340000000000003 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 71.200000000000003 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 61.450000000000003 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD13 HD23 ' A' ' 56' ' ' LEU . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.210000000000001 111.08 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.855 0.36 . . . . 70.230000000000004 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 42' ' ' LEU . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 72.549999999999997 111.151 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 65.340000000000003 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 18' ' ' CYS . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 52.340000000000003 111.102 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 42.329999999999998 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 54.200000000000003 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.120000000000005 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.348 . . . . 51.32 110.818 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 63' ' ' ILE . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 63.350000000000001 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 53.229999999999997 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 61.439999999999998 112.465 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.797 0.332 . . . . 72.310000000000002 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 53.549999999999997 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 51.520000000000003 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 52.25 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 55.32 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.400000000000006 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 56' ' ' LEU . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.929 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 61.100000000000001 111.108 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.895 0.378 . . . . 72.140000000000001 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.677 ' HA ' HD12 ' A' ' 56' ' ' LEU . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' ' CZ2' ' A' ' 4' ' ' TRP . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 111.094 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 42' ' ' LEU . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 43.43 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ALA . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.150000000000006 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 62.229999999999997 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 111.142 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 55.549999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 110.908 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.409999999999997 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' HH11 ' A' ' 17' ' ' ARG . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.785 HG23 ' CD1' ' A' ' 31' ' ' PHE . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.299999999999997 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 70.209999999999994 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.601 HH11 ' HB1' ' A' ' 13' ' ' ALA . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 70.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 43.520000000000003 112.492 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.853 0.359 . . . . 52.039999999999999 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 63.299999999999997 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CD1' HG23 ' A' ' 14' ' ' ILE . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 55.100000000000001 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 62.509999999999998 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.565 ' CD1' HD13 ' A' ' 63' ' ' ILE . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 65.420000000000002 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.549999999999997 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.009999999999998 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 56' ' ' LEU . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.510000000000005 111.094 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.882 0.372 . . . . 64.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.822 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.120000000000005 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 42' ' ' LEU . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 61.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 35' ' ' ILE . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 65.25 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.703 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 73.140000000000001 110.885 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 44.210000000000001 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 65.540000000000006 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 45.039999999999999 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 35' ' ' ILE . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.049999999999997 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 70' ' ' TYR . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.32 112.484 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.821 0.343 . . . . 75.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 71.310000000000002 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 61.100000000000001 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 14' ' ' ILE . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 111.113 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.523 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 62.549999999999997 110.86 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 55.350000000000001 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD22 HD13 ' A' ' 56' ' ' LEU . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 60.340000000000003 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 56' ' ' LEU . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 62.32 111.087 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 42' ' ' LEU . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.132 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.219999999999999 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CG ' HD11 ' A' ' 21' ' ' LEU . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.319999999999993 110.89 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.861 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.150000000000006 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 42' ' ' LEU . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.409999999999997 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 62.420000000000002 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 55.030000000000001 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.229999999999997 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.129999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SG ' ' A' ' 28' ' ' CYS . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 62.420000000000002 112.457 179.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.803 0.335 . . . . 64.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' A' ' 21' ' ' LEU . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 43.210000000000001 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 63.509999999999998 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 42' ' ' LEU . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 56' ' ' LEU . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.400000000000006 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 43.310000000000002 111.094 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.943 0.402 . . . . 73.120000000000005 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.019999999999996 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 64.109999999999999 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.130000000000003 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 62.119999999999997 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.549999999999997 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.430000000000007 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 63.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 43.210000000000001 111.129 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.899 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.310000000000002 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 7' ' ' PHE . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 21.52 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.825 HG21 HD11 ' A' ' 35' ' ' ILE . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.25 111.119 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 74.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 54.439999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.329999999999998 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.857 0.36 . . . . 65.019999999999996 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.239999999999995 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 14' ' ' ILE . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.104 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 56' ' ' LEU . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 55.509999999999998 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.864 0.364 . . . . 71.040000000000006 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 56' ' ' LEU . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 53' ' ' VAL . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.520000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.310000000000002 111.103 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 60.200000000000003 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 61.409999999999997 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.105 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 61.439999999999998 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 53.420000000000002 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 72.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ptp . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.815 0.34 . . . . 72.25 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.94 -145.15 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 63.109999999999999 112.489 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -109.97 34.3 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 73.319999999999993 110.869 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -70.9 -33.6 70.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.319999999999993 110.931 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -51.42 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 63.310000000000002 111.088 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -51.05 71.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.420000000000002 110.848 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' CD2' HD21 ' A' ' 42' ' ' LEU . 5.7 m-85 -60.16 -34.38 73.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.913 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -44.21 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.450000000000003 110.875 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -57.04 10.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.915 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -43.95 78.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.400000000000006 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.83 -39.31 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.27 -44.37 91.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.069 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.04 94.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 111.086 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.802 HG23 ' CD1' ' A' ' 31' ' ' PHE . 64.2 mt -66.21 -42.89 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 45.420000000000002 111.128 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.86 -40.99 83.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.92 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.2 m -62.63 -52.06 64.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -65.68 -32.04 73.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 52.43 110.891 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.5 t -73.39 -40.42 64.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.867 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.3 -34.1 67.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 71.400000000000006 110.909 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.58 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 111.098 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.2 mt 54.29 70.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 75.239999999999995 110.927 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.35 -30.44 8.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.319999999999993 112.52 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.17 71.49 0.6 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 75.540000000000006 112.489 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 m -158.71 116.24 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 64.349999999999994 110.828 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -21.05 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 73.329999999999998 110.911 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.15 -44.45 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 111.146 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.0 -51.55 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 m -55.18 -45.53 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 42.119999999999997 110.888 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.51 -46.75 88.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.073 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.81 -37.42 73.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 73.129999999999995 111.076 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 14' ' ' ILE . 23.8 m-85 -67.99 -49.68 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 44.530000000000001 110.848 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.97 -47.49 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.329999999999998 110.851 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.59 -57.05 8.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.894 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -50.62 -48.71 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 25.9 mm -61.32 -43.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.099999999999994 111.114 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.91 -48.57 75.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.116 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.58 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 55.109999999999999 111.052 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -54.06 46.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.868 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.62 -39.68 94.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.100000000000001 110.924 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.0 t -68.68 -30.1 68.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.847 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -79.55 -33.51 41.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.907 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 56' ' ' LEU . 11.3 mt -76.02 -34.48 59.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 74.109999999999999 110.955 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -16.11 59.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.917 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.56 -15.04 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 72.109999999999999 111.065 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -50.19 -60.91 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 110.892 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.69 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 61.229999999999997 110.862 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.95 97.2 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 63.509999999999998 112.494 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -51.93 -29.69 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 72.329999999999998 110.941 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.52 27.67 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 52.439999999999998 112.492 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -51.84 160.48 1.11 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.653 0.739 . . . . 72.140000000000001 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -30.39 21.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.698 2.265 . . . . 72.409999999999997 112.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.74 -42.31 64.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 74.010000000000005 110.917 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.547 HG12 ' HG3' ' A' ' 57' ' ' ARG . 21.6 t -71.96 -20.31 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 70.019999999999996 111.14 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -58.91 -54.36 48.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.869 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.36 -52.38 65.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 43.340000000000003 111.076 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.772 HD13 HD13 ' A' ' 42' ' ' LEU . 4.8 mt -56.63 -39.9 74.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 110.904 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.547 ' HG3' HG12 ' A' ' 53' ' ' VAL . 40.3 mtp85 -63.96 -44.68 92.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.510000000000005 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -61.57 -59.08 5.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.883 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -50.69 65.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 70.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.51 -54.14 30.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 111.075 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.03 -44.17 70.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 111.085 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.64 87.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 64.299999999999997 111.143 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.448 HD13 HD11 ' A' ' 35' ' ' ILE . 21.2 mt -59.98 -44.49 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 63.399999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -59.49 -47.18 86.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.869 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.98 -43.96 91.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 70.019999999999996 110.836 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -48.55 81.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.420000000000002 110.904 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.4 m -57.55 -42.49 83.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.53 -28.97 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.33 59.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 63.140000000000001 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -101.6 -37.27 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.219999999999999 110.909 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 42.98 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.510000000000005 110.878 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.84 33.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.847 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 110.913 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.328 . . . . 52.200000000000003 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.29 -130.4 10.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 61.009999999999998 112.487 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -67.62 -33.24 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 70.510000000000005 110.87 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -64.48 -41.9 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 74.239999999999995 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.19 -50.99 57.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 75.140000000000001 111.066 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -57.66 -52.8 63.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.18 -35.81 72.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.049999999999997 110.898 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -40.73 85.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.439999999999998 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.14 -58.6 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -56.2 -44.01 79.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 62.119999999999997 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.48 -38.61 91.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.948 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.34 89.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.106 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.29 94.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.753 HG21 HD11 ' A' ' 35' ' ' ILE . 22.7 mt -65.64 -38.8 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 74.299999999999997 111.119 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.37 -42.6 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.409999999999997 110.954 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.43 -53.27 57.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 63.340000000000003 111.1 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -64.38 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.844 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -43.66 61.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 60.25 110.911 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.23 -27.2 56.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.040000000000006 111.075 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 70' ' ' TYR . 50.6 mt 51.55 28.9 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.019999999999996 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.76 -12.0 61.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.54 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -76.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 72.540000000000006 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.8 t -174.61 146.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 73.430000000000007 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -37.54 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.921 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -36.23 20.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 54.439999999999998 111.081 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.46 -34.86 37.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 73.209999999999994 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.4 m -51.43 -45.48 62.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.65 -54.66 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.420000000000002 111.106 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -36.03 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 61.200000000000003 111.117 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -63.52 -50.35 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.866 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.37 -47.41 78.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 44.240000000000002 110.907 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -58.65 -50.91 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.895 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -47.77 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 61.210000000000001 110.904 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 14' ' ' ILE . 35.8 mm -59.07 -45.13 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 55.310000000000002 111.161 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.46 -47.79 75.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.010000000000005 111.131 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.37 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.530000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -54.56 44.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.885 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -63.58 -39.81 95.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.882 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -66.97 -29.05 68.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 110.856 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.75 -33.0 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 71.409999999999997 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.875 HD22 HD13 ' A' ' 56' ' ' LEU . 5.8 mt -76.87 -30.8 56.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.945 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -20.3 59.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.78 -19.09 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 72.150000000000006 111.113 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -51.17 -51.05 57.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.150000000000006 110.941 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 58.6 40.34 23.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.865 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.97 58.06 4.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 74.420000000000002 112.443 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp 58.2 34.19 23.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 72.219999999999999 110.915 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.82 70.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 72.400000000000006 112.483 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.24 160.31 75.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 71.129999999999995 110.852 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -23.43 30.9 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 72.230000000000004 112.37 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -56.64 -35.3 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 50.210000000000001 110.87 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.0 -20.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.132 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -66.95 -49.55 65.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.89 -47.38 78.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 50.520000000000003 111.075 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.875 HD13 HD22 ' A' ' 42' ' ' LEU . 6.9 mt -61.54 -40.24 93.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.923 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -65.87 -42.91 89.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.049999999999997 110.835 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -58.86 6.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 55.219999999999999 110.884 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -54.2 -53.34 54.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.89 -51.61 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 53.210000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.75 -44.56 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 51.229999999999997 111.053 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.68 83.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 52.32 111.06 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD11 ' HG3' ' A' ' 15' ' ' LYS . 60.3 mt -59.66 -44.0 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.239999999999995 111.167 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.3 -47.12 86.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.040000000000006 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -59.07 -44.17 91.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 110.865 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -47.8 84.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 71.409999999999997 110.918 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.3 m -57.88 -42.98 85.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 63.439999999999998 110.929 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -68.61 -30.44 69.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.942 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.75 -7.88 58.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 62.439999999999998 111.142 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.2 m-85 -99.25 -37.8 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 72.430000000000007 110.929 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.68 44.99 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.88 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.92 34.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 54.009999999999998 110.868 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.049999999999997 110.904 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.827 0.346 . . . . 30.239999999999998 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.69 -133.46 21.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 53.299999999999997 112.51 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.26 29.22 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.524 ' CH2' HD13 ' A' ' 56' ' ' LEU . 16.9 t-105 -75.53 -45.92 35.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 75.219999999999999 110.926 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -49.89 61.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.092 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -56.27 -49.03 75.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.684 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.3 m-85 -58.08 -43.28 86.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 75.409999999999997 110.897 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -42.68 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.854 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -56.91 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -45.68 69.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.892 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.6 tp -60.64 -40.89 93.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 110.929 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.56 90.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 65.209999999999994 111.127 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 51.130000000000003 111.077 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.691 HG21 HD11 ' A' ' 35' ' ' ILE . 28.4 mt -64.42 -38.81 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 111.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -43.15 81.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.908 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -61.19 -54.6 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 111.184 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -33.61 75.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.832 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.7 t -69.18 -36.46 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 73.049999999999997 110.906 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -72.16 -43.64 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 110.899 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.63 -27.49 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 53.329999999999998 111.085 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 mt 51.48 28.75 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.88 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.31 -10.0 56.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 65.349999999999994 112.505 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.72 -68.74 1.49 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 64.420000000000002 112.531 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.54 140.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 71.340000000000003 110.875 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.8 25.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 110.878 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.81 -36.95 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 34.32 111.092 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.29 -33.36 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 75.540000000000006 110.879 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.6 m -51.7 -44.75 63.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.07 -54.76 38.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 61.130000000000003 111.114 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -34.43 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 50.149999999999999 111.143 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -64.38 -49.98 69.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.329999999999998 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -46.71 83.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 55.219999999999999 110.924 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -51.95 67.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.129999999999995 110.922 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.81 -47.57 67.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.878 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.691 HD11 HG21 ' A' ' 14' ' ' ILE . 30.8 mm -59.47 -44.75 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.137 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.81 -47.92 76.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 63.43 111.083 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.56 -32.63 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.063 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -61.99 -54.09 46.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 63.539999999999999 110.867 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -66.1 -37.99 87.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 110.89 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -67.96 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 62.130000000000003 110.84 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -84.15 -28.08 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.835 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' A' ' 56' ' ' LEU . 58.3 mt -83.32 -24.95 31.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 110.955 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -21.47 46.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.530000000000001 110.884 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.08 -15.26 54.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 64.129999999999995 111.103 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.92 -64.71 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.913 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 179.05 -66.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 75.5 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.03 -48.5 3.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 62.43 112.545 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -74.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 73.239999999999995 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.56 78.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 64.409999999999997 112.482 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.93 77.54 22.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 72.230000000000004 110.867 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.31 35.94 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.673 2.249 . . . . 71.530000000000001 112.322 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.7 -33.33 47.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 63.149999999999999 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG11 ' O ' ' A' ' 42' ' ' LEU . 48.5 t -58.97 -21.3 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.129999999999995 111.108 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -51.72 -38.09 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.65 39.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.53 -43.72 84.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.888 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -43.84 97.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.897 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -54.75 43.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.59 -51.83 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 71.239999999999995 110.895 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.38 -52.18 48.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 54.539999999999999 111.105 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.09 72.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 61.299999999999997 111.106 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.95 84.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 73.239999999999995 111.097 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -59.56 -44.6 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.112 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -58.84 -47.28 85.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.903 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -58.5 -44.73 89.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 70.109999999999999 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.0 -46.1 90.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -58.19 -44.0 87.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 52.539999999999999 110.911 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -30.78 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.936 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.9 59.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.239999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -97.27 -38.17 9.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.932 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 46.2 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.340000000000003 110.862 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -179.82 34.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.876 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.875 0.369 . . . . 70.230000000000004 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.6 -133.79 38.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 61.520000000000003 112.535 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.24 27.05 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 62.109999999999999 110.885 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -80.95 -55.35 4.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.911 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.34 -46.91 62.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.44 -43.87 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' HD2' HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -63.61 -43.61 96.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.844 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -66.73 -41.06 88.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 63.229999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -59.46 5.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -55.78 -42.96 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.845 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.7 -40.47 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.93 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.340000000000003 111.11 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.69 98.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' A' ' 31' ' ' PHE . 96.3 mt -63.57 -40.75 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 111.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.0 87.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.905 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.52 -55.66 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 111.12 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.84 -33.11 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.319999999999993 110.908 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -70.87 -36.68 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 62.350000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.12 -37.91 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.510000000000005 110.937 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.17 -30.83 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 53.229999999999997 111.073 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 51.7 26.49 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.540000000000006 110.881 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -122.31 -18.36 3.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 62.240000000000002 112.494 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.75 -38.67 45.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 53.200000000000003 112.493 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.77 119.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 74.239999999999995 110.848 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -28.3 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 70.109999999999999 110.895 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.66 -33.35 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 63.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.39 -33.06 19.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.239999999999995 110.883 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.48 -45.27 56.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.91 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.69 73.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.510000000000005 111.095 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.37 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 61.350000000000001 111.077 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.746 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.6 m-85 -65.0 -49.1 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 110.845 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.78 -51.35 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 72.299999999999997 110.915 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -54.35 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 63.43 110.883 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -50.36 -49.18 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 mm -61.53 -43.54 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 74.319999999999993 111.111 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.85 64.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 111.113 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.14 -34.86 78.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 43.539999999999999 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -54.38 47.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.906 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.96 -40.1 95.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 72.349999999999994 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -64.35 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 60.399999999999999 110.845 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -80.88 -35.47 32.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.430000000000007 110.87 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 56' ' ' LEU . 12.9 mt -69.28 -33.64 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.913 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -63.89 -21.6 66.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 74.209999999999994 110.908 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.71 -18.69 28.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.13 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -76.27 -24.31 54.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.928 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.46 103.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 74.030000000000001 110.874 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.73 108.94 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.19 54.87 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 64.200000000000003 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.52 -77.79 0.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 71.219999999999999 112.527 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 m120 50.01 77.36 0.46 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 65.129999999999995 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -15.6 37.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.276 . . . . 70.450000000000003 112.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.47 -45.66 68.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 72.230000000000004 110.9 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.9 t -60.91 -20.11 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 61.539999999999999 111.124 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -56.16 -55.71 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.862 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.36 44.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 72.230000000000004 111.079 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD22 ' HD2' ' A' ' 7' ' ' PHE . 9.2 mt -51.82 -48.26 63.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 34.399999999999999 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.0 94.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.886 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.65 -55.38 34.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.030000000000001 110.861 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -55.21 -54.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 64.450000000000003 110.902 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.6 -51.3 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 62.240000000000002 111.118 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.98 -44.45 74.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 71.010000000000005 111.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.18 85.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 54.200000000000003 111.103 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.67 -44.39 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.142 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -59.65 -46.86 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 75.430000000000007 110.856 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -59.08 -43.83 91.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.349999999999994 110.861 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.69 -49.33 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 75.310000000000002 110.909 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 80.6 m -57.61 -39.58 77.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.879 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -70.02 -32.22 70.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.897 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.36 -6.17 57.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 62.329999999999998 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.1 -36.03 7.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -133.87 41.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.886 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.5 32.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 64.329999999999998 110.86 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.8 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 110.894 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtp . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.85 0.357 . . . . 74.439999999999998 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.34 -130.5 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 73.299999999999997 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.05 28.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 71.530000000000001 110.845 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -81.63 -38.36 26.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 70.299999999999997 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.93 -52.42 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 62.229999999999997 111.092 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -50.47 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.230000000000004 110.854 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CE2' HD21 ' A' ' 42' ' ' LEU . 5.5 m-85 -59.62 -35.99 75.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.873 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -45.1 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 73.340000000000003 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.31 -58.75 6.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 62.32 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -44.74 69.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.030000000000001 110.884 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.2 mt -61.15 -41.75 97.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 53.240000000000002 110.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.18 91.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 63.020000000000003 111.1 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.22 98.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.5 111.11 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.776 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.0 mt -62.39 -42.36 95.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 111.165 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -43.75 85.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 110.902 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -57.73 -57.34 13.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.299999999999997 111.182 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -62.36 -34.56 76.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 62.030000000000001 110.835 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -68.62 -33.97 74.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.919 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -74.05 -43.67 57.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.888 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.4 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 111.142 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 ' CE2' ' A' ' 70' ' ' TYR . 45.8 mt 53.5 25.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.530000000000001 110.936 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -119.96 -16.07 5.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 64.329999999999998 112.463 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.84 -43.85 54.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 73.299999999999997 112.441 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.61 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 61.049999999999997 110.807 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.25 24.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 71.430000000000007 110.883 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.77 -32.86 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.510000000000005 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.45 -32.68 18.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.877 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.4 m -50.46 -45.38 56.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.904 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -49.83 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.5 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 31.109999999999999 111.117 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.0 m-85 -65.33 -50.49 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.409999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.83 -50.24 69.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 62.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.22 -54.18 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 53.409999999999997 110.91 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -51.06 -49.22 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.329999999999998 110.838 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.33 -44.41 95.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 111.106 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.71 -48.12 75.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 64.040000000000006 111.142 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.86 71.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 54.509999999999998 111.087 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.19 -54.2 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.864 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -38.49 88.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 t -69.59 -26.99 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.833 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.57 -37.12 28.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 50.119999999999997 110.852 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 56' ' ' LEU . 14.9 mt -75.48 -31.51 60.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 72.319999999999993 110.933 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.38 -19.94 59.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 64.340000000000003 110.928 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.76 48.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 65.530000000000001 111.107 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -51.59 -61.14 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 75.030000000000001 110.915 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 61.7 58.17 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 73.209999999999994 110.879 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.73 93.58 0.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 74.310000000000002 112.501 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tptm 51.61 69.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.846 0.355 . . . . 72.439999999999998 110.869 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.64 -125.06 7.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 72.109999999999999 112.484 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.8 OUTLIER 179.46 59.41 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.608 0.718 . . . . 75.310000000000002 110.86 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -49.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 43.210000000000001 112.359 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -68.68 -27.43 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.909 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.65 HG12 ' HG3' ' A' ' 57' ' ' ARG . 11.0 t -77.2 -20.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 111.17 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.09 -56.13 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.856 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.23 69.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.219999999999999 111.129 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 42' ' ' LEU . 6.0 mt -54.2 -44.47 71.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.65 ' HG3' HG12 ' A' ' 53' ' ' VAL . 51.2 mtp180 -63.73 -43.76 95.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -57.12 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.916 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.5 -53.08 61.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.88 49.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 75.510000000000005 111.108 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.95 -44.91 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.52 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 111.135 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.26 -44.44 95.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 64.25 111.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -60.57 -45.89 92.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 74.310000000000002 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -59.48 -43.89 93.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 61.210000000000001 110.83 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.26 -49.65 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.329999999999998 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.41 -39.41 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 64.400000000000006 110.883 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -70.07 -32.94 71.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 55.149999999999999 110.95 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.35 -6.29 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 53.240000000000002 111.129 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.646 ' CE2' HD11 ' A' ' 21' ' ' LEU . 22.3 m-85 -103.45 -36.42 7.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 70.129999999999995 110.919 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -135.07 42.37 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.894 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 33.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 64.150000000000006 110.841 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.891 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.85 0.357 . . . . 74.450000000000003 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 53.74 -140.95 33.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 73.549999999999997 112.485 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 m -97.62 29.47 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 75.219999999999999 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 11.0 t-105 -73.37 -49.64 26.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 72.510000000000005 110.927 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.61 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 111.141 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.55 -49.85 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.87 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -60.92 -42.49 98.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.911 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -63.56 -38.02 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.926 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -54.2 35.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.944 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -56.93 -46.08 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.530000000000001 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 38' ' ' PHE . 1.2 tp -64.31 -35.6 81.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 71.200000000000003 110.876 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.25 86.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 43.130000000000003 111.13 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.72 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.095 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' CD1' ' A' ' 31' ' ' PHE . 43.7 mt -67.6 -39.71 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 111.101 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -69.1 -41.21 77.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -63.36 -49.88 72.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.159 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -66.28 -33.4 75.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.882 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.17 -40.85 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 61.520000000000003 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.14 -31.97 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.400000000000006 110.915 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.11 -30.45 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.112 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.7 mt 52.89 69.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 55.020000000000003 110.94 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.36 7.81 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 71.340000000000003 112.508 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.69 36.78 1.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 74.409999999999997 112.538 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -118.7 115.96 25.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 45.109999999999999 110.841 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -20.69 40.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 65.519999999999996 110.867 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.54 -45.44 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.420000000000002 111.14 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -50.88 -51.84 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.871 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -55.2 -45.53 75.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 75.450000000000003 110.906 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.85 92.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 111.103 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.15 -39.58 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 63.439999999999998 111.089 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CD1' HG23 ' A' ' 14' ' ' ILE . 12.0 m-85 -66.16 -47.37 74.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.439999999999998 110.905 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.47 -47.1 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -58.05 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 70.310000000000002 110.859 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -51.05 -48.11 61.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.399999999999999 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.63 -42.93 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.088 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.68 -48.6 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 111.081 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.52 83.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 111.068 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.07 -55.07 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 63.049999999999997 110.903 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.25 -40.65 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.91 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -65.22 -35.08 79.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 110.864 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.74 -25.48 38.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 ' CD2' HD23 ' A' ' 56' ' ' LEU . 11.7 mt -78.43 -32.93 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -18.96 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.913 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -26.53 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.32 111.117 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -52.07 -34.82 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.955 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 mttt 63.64 20.36 12.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 63.340000000000003 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.58 37.08 3.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 71.409999999999997 112.513 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -58.69 -21.15 53.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 63.32 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.83 -28.18 22.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 65.209999999999994 112.485 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -109.53 157.78 36.47 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.588 0.709 . . . . 63.439999999999998 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.73 37.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 73.319999999999993 112.384 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' HG23 ' A' ' 53' ' ' VAL . 16.5 pt-20 -50.8 -49.05 59.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 110.869 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' A' ' 52' ' ' GLU . 21.6 t -81.01 -20.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 51.109999999999999 111.12 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -68.27 -48.79 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 63.549999999999997 110.864 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -46.06 70.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 53.399999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 42' ' ' LEU . 3.3 mp -58.69 -52.84 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 63.539999999999999 110.923 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -40.15 95.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 54.43 110.88 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -55.56 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 70.150000000000006 110.888 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -55.22 -53.32 57.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.868 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.81 -51.81 47.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 111.099 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.84 73.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 111.11 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -48.11 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 111.12 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.6 mt -59.06 -44.43 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.239999999999995 111.18 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -58.49 -47.97 82.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.93 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -58.08 -43.75 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.869 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.09 -48.86 79.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.872 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.1 m -56.77 -41.38 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.894 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -68.95 -32.27 71.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 70.310000000000002 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -79.61 -6.1 56.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 44.240000000000002 111.103 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -105.03 -35.9 7.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.019999999999996 110.9 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -134.07 41.16 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 65.340000000000003 110.847 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.16 32.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 63.140000000000001 110.883 -179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.779 0.324 . . . . 73.420000000000002 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.41 -128.25 46.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 73.219999999999999 112.476 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -111.72 27.39 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 51.240000000000002 110.828 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -78.95 -52.21 8.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 53.240000000000002 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.58 62.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 65.530000000000001 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.84 -49.38 77.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 64.530000000000001 110.921 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' CE2' HD21 ' A' ' 42' ' ' LEU . 1.8 m-85 -61.35 -37.88 84.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 71.239999999999995 110.888 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -67.08 -40.07 86.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 72.230000000000004 110.92 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -58.68 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.099999999999994 110.906 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.03 79.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.833 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -64.14 -36.52 84.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.200000000000003 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.12 85.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 111.086 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 53.310000000000002 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.813 HG23 ' CD1' ' A' ' 31' ' ' PHE . 30.3 mt -66.02 -40.18 86.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.409999999999997 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.05 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.947 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.0 m -62.38 -52.57 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 64.299999999999997 111.135 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -64.97 -32.28 73.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.844 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 t -72.98 -40.88 64.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -71.65 -32.73 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 110.89 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.51 -30.51 25.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 44.229999999999997 111.102 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.749 HD11 ' CG ' ' A' ' 70' ' ' TYR . 47.3 mt 53.53 70.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 70.420000000000002 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.0 -30.61 7.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 44.549999999999997 112.484 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.04 31.27 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 71.329999999999998 112.479 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -113.01 116.67 30.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 61.329999999999998 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -20.69 39.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.83 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -45.97 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 53.420000000000002 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -50.68 -52.18 42.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 73.510000000000005 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -55.95 -44.95 78.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 65.420000000000002 110.958 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.25 95.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 51.530000000000001 111.107 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.95 80.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 51.119999999999997 111.122 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.813 ' CD1' HG23 ' A' ' 14' ' ' ILE . 13.6 m-85 -66.43 -47.79 72.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.210000000000001 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.24 -46.09 83.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.844 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -58.16 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.329999999999998 110.921 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.3 -48.06 62.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 110.915 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG23 ' HB1' ' A' ' 60' ' ' ALA . 26.1 mm -63.84 -42.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 63.450000000000003 111.124 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.02 73.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.219999999999999 111.113 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.81 86.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -55.53 33.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.450000000000003 110.885 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -63.12 -39.78 95.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 110.869 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.1 t -66.01 -29.01 69.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.863 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.68 -29.6 25.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 64.209999999999994 110.946 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.017 HD22 HD13 ' A' ' 56' ' ' LEU . 8.2 mt -80.72 -26.14 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 72.400000000000006 110.936 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.25 -22.56 51.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.5 -20.91 49.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 24.309999999999999 111.087 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.52 -64.34 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 61.210000000000001 110.901 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt 63.38 44.57 5.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.918 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.36 60.33 3.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 25.530000000000001 112.439 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.7 mttt 59.37 26.17 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 74.230000000000004 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.37 50.45 67.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 53.130000000000003 112.515 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -68.21 160.33 75.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.663 0.744 . . . . 74.049999999999997 110.845 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -19.22 36.43 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 64.319999999999993 112.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -65.44 -46.73 78.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 74.230000000000004 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.8 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -69.06 -20.38 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 64.450000000000003 111.171 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 62.509999999999998 110.927 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.58 89.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 53.329999999999998 111.12 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD13 HD22 ' A' ' 42' ' ' LEU . 7.1 mt -64.07 -52.6 58.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 51.32 110.888 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -63.98 -34.34 77.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 64.299999999999997 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -54.87 25.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 63.520000000000003 110.96 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB1' HG23 ' A' ' 35' ' ' ILE . . . -53.04 -52.43 58.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 73.120000000000005 111.131 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.73 75.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.310000000000002 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.8 86.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 42.329999999999998 111.105 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.75 -44.3 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.088 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.29 -46.84 87.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -59.25 -44.51 92.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.836 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.48 -48.53 81.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 90.6 m -58.39 -41.12 84.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 75.329999999999998 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.29 -22.57 60.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 71.019999999999996 110.897 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.07 -4.06 58.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.124 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.749 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.0 m-85 -100.86 -38.8 8.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 65.120000000000005 110.897 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.77 -34.78 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 64.209999999999994 110.857 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.78 34.37 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 72.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 t30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.892 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.823 0.344 . . . . 74.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.81 -127.63 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.447 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 28.83 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 73.329999999999998 110.872 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.729 ' CZ3' HD13 ' A' ' 56' ' ' LEU . 7.7 t-105 -78.84 -37.32 40.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.959 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.77 -50.14 71.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 73.340000000000003 111.144 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -52.83 63.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 110.928 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 56' ' ' LEU . 4.0 m-85 -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.862 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -68.28 -43.9 76.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.89 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -64.24 -55.89 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -57.33 -44.35 84.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.875 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.3 -38.62 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 73.010000000000005 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.78 88.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 111.091 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.41 -40.94 94.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.239999999999995 111.086 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.637 HG21 HD11 ' A' ' 35' ' ' ILE . 22.6 mt -65.61 -39.1 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 55.520000000000003 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -42.43 79.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 110.871 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -62.21 -53.1 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 71.099999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -65.22 -31.82 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 70.450000000000003 110.89 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 t -71.05 -34.79 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 61.43 110.865 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -75.04 -43.72 51.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.67 -27.89 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.349999999999994 111.148 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 70' ' ' TYR . 89.3 mt 51.92 27.89 4.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.951 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.18 7.29 62.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 71.329999999999998 112.469 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 -65.55 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 61.219999999999999 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 138.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 72.099999999999994 110.858 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -50.03 -35.41 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.867 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -35.85 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -51.36 -33.52 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 71.409999999999997 110.921 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.1 m -51.57 -44.95 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 75.129999999999995 110.892 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB2' ' NH2' ' A' ' 71' ' ' ARG . . . -54.98 -54.82 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 62.43 111.077 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -35.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 53.130000000000003 111.106 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -63.89 -50.51 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.901 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -56.62 -45.24 81.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 73.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -51.37 69.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.872 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -48.0 67.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 75.120000000000005 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.637 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.31 -44.88 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 62.210000000000001 111.155 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.57 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 34.210000000000001 111.124 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.38 -36.44 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 61.530000000000001 111.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.18 -54.94 41.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.010000000000005 110.876 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -62.91 -40.07 96.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 73.109999999999999 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -64.77 -31.12 72.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.219999999999999 110.869 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.79 -32.14 35.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 110.886 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.857 HD21 HD23 ' A' ' 56' ' ' LEU . 15.4 mt -73.64 -32.35 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.923 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -20.01 64.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.46 -22.2 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 60.229999999999997 111.095 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HE2' HD23 ' A' ' 42' ' ' LEU . 12.0 m-85 -58.84 -32.13 69.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.933 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.6 21.86 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 71.439999999999998 110.88 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.28 33.19 5.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.25 112.521 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -21.86 50.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 73.200000000000003 110.875 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.73 -28.12 21.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 44.149999999999999 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -104.95 158.97 30.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 73.200000000000003 110.885 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.6 37.36 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 73.25 112.374 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 53' ' ' VAL . 13.6 pt-20 -51.61 -48.08 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.230000000000004 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.499 HG23 ' HG3' ' A' ' 52' ' ' GLU . 87.2 t -85.08 -25.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 111.112 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.99 -36.01 82.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 52.240000000000002 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.99 8.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 70.329999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD23 HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.95 -36.19 76.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 75.200000000000003 110.93 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -44.26 81.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.887 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -55.16 31.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 72.540000000000006 110.927 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.19 -52.1 65.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.887 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.47 -52.41 46.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 71.099999999999994 111.089 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.48 -44.93 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 55.329999999999998 111.078 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.1 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.129 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 mt -59.98 -44.63 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -59.41 -46.89 87.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.94 -44.35 91.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.882 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -60.41 -47.13 87.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.879 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.9 m -57.83 -43.41 85.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 53.350000000000001 110.877 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -68.43 -30.87 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.530000000000001 110.897 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.93 -8.33 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 65.239999999999995 111.029 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -98.43 -37.98 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 64.329999999999998 110.937 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.697 ' NH2' ' HB2' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -136.4 45.74 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 64.340000000000003 110.819 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -179.24 34.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 110.842 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 110.881 -179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 71.209999999999994 110.855 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.25 -125.46 9.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 61.409999999999997 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -35.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 64.219999999999999 110.855 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -59.27 -39.35 82.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.911 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -51.38 -51.72 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 61.219999999999999 111.092 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -56.89 -52.18 66.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.040000000000006 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.0 m-85 -57.85 -39.83 78.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 62.240000000000002 110.841 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -42.24 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.209999999999994 110.898 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -58.12 9.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.924 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.24 -46.29 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 65.329999999999998 110.83 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 7' ' ' PHE . 6.4 mp -61.41 -38.37 86.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.41 88.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.030000000000001 111.107 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.2 97.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 111.072 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 25.7 mt -64.91 -38.46 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.156 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -42.87 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.239999999999995 110.944 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -62.3 -53.19 58.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 74.230000000000004 111.195 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -64.29 -32.42 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.120000000000005 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.6 t -70.62 -35.99 73.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 62.409999999999997 110.889 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -73.2 -42.21 62.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.209999999999994 110.901 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.23 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 50.520000000000003 111.095 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.6 28.62 4.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 64.439999999999998 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.52 16.79 58.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 74.140000000000001 112.511 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.24 -62.3 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 63.100000000000001 112.435 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.65 137.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 62.439999999999998 110.855 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -50.34 -34.59 24.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.79 -35.69 20.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 62.109999999999999 111.109 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -51.3 -33.1 27.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 110.861 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 m -51.55 -44.92 62.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 64.329999999999998 110.858 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -54.77 37.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 111.073 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.51 -35.38 65.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.57 -49.68 72.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.349999999999994 110.867 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.81 -48.83 77.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.915 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -48.39 80.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.861 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -47.16 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 52.350000000000001 110.875 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 14' ' ' ILE . 33.6 mm -59.14 -45.47 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.113 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.27 -47.84 77.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 70.109999999999999 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -32.05 72.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.082 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -62.08 -53.64 52.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.530000000000001 110.885 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -66.09 -38.33 88.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.833 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -69.72 -26.7 64.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 64.019999999999996 110.849 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.89 -39.67 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 65.310000000000002 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.131 HD22 HD13 ' A' ' 56' ' ' LEU . 4.5 mt -74.59 -31.51 62.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.25 110.966 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -17.87 59.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 71.030000000000001 110.898 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.85 -15.05 49.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.140000000000001 111.112 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.03 -59.48 3.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.916 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -161.29 -48.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.109999999999999 110.932 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.36 162.46 0.39 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 71.0 112.465 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.06 107.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.809 0.337 . . . . 71.109999999999999 110.877 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.5 37.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 53.32 112.477 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 5.1 p-10 -110.38 90.78 10.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.664 0.745 . . . . 71.129999999999995 110.874 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.1 Cg_endo -69.83 -13.97 35.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 62.409999999999997 112.277 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -51.53 -42.1 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.91 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.786 ' HA ' HD12 ' A' ' 56' ' ' LEU . 97.4 t -75.03 -22.77 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.119999999999997 111.101 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.0 -34.59 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 110.873 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.09 -52.26 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 31.030000000000001 111.107 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.131 HD13 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -59.99 -37.4 79.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.905 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -44.5 84.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.865 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -56.94 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.929 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -50.97 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 110.852 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.615 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.64 -53.11 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 34.109999999999999 111.059 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.15 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 54.32 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.33 89.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 63.409999999999997 111.067 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.5 mt -60.07 -44.8 95.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 61.32 111.163 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -46.34 89.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -59.23 -44.48 92.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 64.510000000000005 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -60.48 -47.18 87.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.832 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.7 m -57.9 -43.58 86.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -68.36 -30.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 54.119999999999997 110.911 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.69 -8.55 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.43 111.079 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.14 -38.06 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.879 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -136.28 45.86 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.010000000000005 110.881 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.46 34.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.873 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.914 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.771 0.32 . . . . 72.239999999999995 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.57 -133.91 38.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.676 -0.773 . . . . 64.120000000000005 112.51 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -100.82 26.82 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 73.299999999999997 110.877 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -67.98 -54.39 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 73.409999999999997 110.965 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.01 -46.88 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 65.140000000000001 111.125 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.24 -48.9 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 73.510000000000005 110.862 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -61.58 -38.24 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.868 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.09 -41.41 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.898 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -64.32 -58.47 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.901 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -44.77 73.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.838 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 7' ' ' PHE . 7.5 mt -61.89 -40.59 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.530000000000001 110.94 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.93 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 52.5 111.155 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.07 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.530000000000001 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG21 HD11 ' A' ' 35' ' ' ILE . 16.6 mt -64.47 -39.72 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -42.02 80.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.915 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -61.39 -53.72 52.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 72.430000000000007 111.153 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -64.39 -32.52 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.150000000000006 110.906 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.5 -34.15 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 64.329999999999998 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.71 -43.99 44.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 70.010000000000005 110.939 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 -30.31 59.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 51.240000000000002 111.118 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 70' ' ' TYR . 85.4 mt 52.42 26.28 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.28 25.12 22.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 55.409999999999997 112.48 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.21 -85.84 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 73.439999999999998 112.523 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.91 153.06 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 74.109999999999999 110.833 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -64.38 -29.12 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 70.25 110.933 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 -43.29 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 65.239999999999995 111.086 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -36.51 29.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.931 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.3 m -50.22 -44.88 53.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.913 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.08 -54.09 44.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.25 67.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 42.100000000000001 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.1 m-30 -63.91 -50.41 68.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 54.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -59.79 -45.41 92.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.871 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -60.45 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.25 110.901 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -48.14 68.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.349999999999994 110.916 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HD11 HG21 ' A' ' 14' ' ' ILE . 34.9 mm -59.75 -44.49 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.139 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -48.3 75.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.121 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 -30.61 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.08 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.33 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 65.310000000000002 110.863 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.42 -38.03 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.897 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.5 t -69.85 -28.29 65.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 73.400000000000006 110.848 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.53 -36.77 32.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 110.884 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.945 HD22 HD13 ' A' ' 56' ' ' LEU . 10.5 mt -76.24 -32.03 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.889 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -21.24 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.119999999999997 110.91 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.12 -27.92 57.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 70.219999999999999 111.13 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 73.040000000000006 110.943 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm 59.21 91.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 65.409999999999997 110.869 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.81 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 63.039999999999999 112.465 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.24 64.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.9 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.62 -19.03 50.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.329999999999998 112.469 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 39.81 71.17 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 74.230000000000004 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.32 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 72.129999999999995 112.329 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -61.49 -35.86 78.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 70.200000000000003 110.837 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.808 ' HA ' HD12 ' A' ' 56' ' ' LEU . 61.6 t -67.22 -20.84 27.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 53.140000000000001 111.113 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.09 -55.3 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.7 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 55.43 111.108 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.945 HD13 HD22 ' A' ' 42' ' ' LEU . 1.7 mt -54.19 -41.06 68.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 64.239999999999995 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -62.23 -45.09 94.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.010000000000005 110.878 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -57.95 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -52.18 58.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 110.899 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.15 -53.21 36.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.409999999999997 111.095 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.99 -44.21 70.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 34.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.78 -47.51 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.32 111.068 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.5 mt -59.42 -44.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 111.132 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.16 -47.24 86.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 71.010000000000005 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -58.74 -43.79 90.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.140000000000001 110.862 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.17 -47.87 84.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 89.5 m -57.76 -43.32 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 35.020000000000003 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.29 -30.89 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.911 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.81 -8.47 58.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 15.15 111.102 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.609 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -98.78 -37.8 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.914 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -136.01 45.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 55.219999999999999 110.854 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.35 34.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 75.540000000000006 110.852 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.792 0.33 . . . . 72.219999999999999 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 57.44 -139.96 46.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 44.130000000000003 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -105.24 27.14 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 51.509999999999998 110.857 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 56' ' ' LEU . 14.8 t-105 -78.9 -45.18 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.927 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.88 -50.69 56.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 64.450000000000003 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.7 -50.83 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 52.439999999999998 110.88 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.8 m-85 -57.29 -41.55 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 73.430000000000007 110.853 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -44.69 96.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.89 -56.05 26.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 72.439999999999998 110.893 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -53.58 -45.4 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.852 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.3 tp -60.54 -41.22 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.917 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.19 87.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.519999999999996 111.141 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.05 -42.14 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 30.34 111.087 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.791 HG23 ' CD1' ' A' ' 31' ' ' PHE . 17.2 mt -62.89 -41.66 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.099 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -66.33 -44.35 83.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.89 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -57.32 -57.46 12.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.120000000000005 111.155 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -62.29 -34.67 77.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 t -68.63 -32.66 72.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.894 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -74.9 -42.64 57.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.3 -30.31 57.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.340000000000003 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CD2' ' A' ' 70' ' ' TYR . 52.1 mt 52.58 26.08 4.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.914 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.62 -16.8 4.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.689 -0.767 . . . . 75.540000000000006 112.475 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.97 -41.88 53.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.814 -0.707 . . . . 45.310000000000002 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.75 120.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 71.340000000000003 110.864 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -28.73 25.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 65.310000000000002 110.922 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.3 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 73.200000000000003 111.119 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.22 -32.24 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.9 m -50.66 -44.8 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 53.25 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.69 73.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 71.219999999999999 111.107 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.68 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 111.077 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.791 ' CD1' HG23 ' A' ' 14' ' ' ILE . 21.9 m-85 -65.23 -48.74 72.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.859 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.73 -50.23 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.549999999999997 110.847 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.08 -54.99 16.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 73.209999999999994 110.866 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -50.82 -48.42 59.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 75.530000000000001 110.898 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mm -62.0 -42.98 96.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.310000000000002 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.4 73.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 61.340000000000003 111.106 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -32.29 69.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.067 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -62.68 -56.34 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.430000000000007 110.895 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.12 -35.86 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 72.209999999999994 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -69.26 -31.95 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 40.039999999999999 110.86 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.4 -29.63 27.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.349999999999994 110.937 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 56' ' ' LEU . 12.3 mt -79.74 -29.67 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 110.916 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.67 -21.78 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.91 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.77 -24.3 59.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 60.229999999999997 111.116 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.98 -65.06 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.049999999999997 110.936 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 tttm 50.39 63.92 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 73.409999999999997 110.919 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.32 124.26 9.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 54.329999999999998 112.494 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.88 -32.42 20.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 61.119999999999997 110.881 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.43 15.65 6.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 62.219999999999999 112.508 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -113.31 75.42 2.3 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 54.039999999999999 110.871 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -14.41 36.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.239 . . . . 62.119999999999997 112.376 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -49.88 -37.04 29.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 110.884 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -51.4 -29.38 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 64.150000000000006 111.172 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -61.47 -35.78 78.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.908 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -67.98 -55.29 13.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 33.329999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -56.84 -42.01 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.922 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.79 -43.7 95.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 70.239999999999995 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -56.37 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.230000000000004 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.96 -52.53 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.859 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.77 -53.26 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.102 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.92 -43.91 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 63.200000000000003 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.67 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.219999999999999 111.111 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG21 HG22 ' A' ' 14' ' ' ILE . 62.5 mt -59.42 -44.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 62.109999999999999 111.143 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.21 -46.99 86.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.839 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -58.99 -44.64 91.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 70.219999999999999 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -59.14 -49.23 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -58.06 -41.82 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 55.439999999999998 110.912 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -72.78 -22.11 60.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.519999999999996 110.941 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.68 -3.25 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 63.229999999999997 111.097 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.647 ' CD2' HD11 ' A' ' 21' ' ' LEU . 22.9 m-85 -101.49 -38.26 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 75.519999999999996 110.904 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -33.51 4.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.841 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.06 32.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 51.100000000000001 110.905 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.875 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.835 0.35 . . . . 75.430000000000007 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 56.65 -140.86 43.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 72.109999999999999 112.489 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -98.18 27.18 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -74.62 -46.9 35.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 75.310000000000002 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.84 -49.29 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 62.43 111.114 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -57.1 -50.37 73.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 52.409999999999997 110.873 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.606 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -58.57 -40.17 82.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.019999999999996 110.848 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -64.99 -43.49 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -58.77 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 54.130000000000003 110.936 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -45.58 67.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.519999999999996 110.898 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -60.51 -41.49 94.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.921 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.2 94.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.147 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.68 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.114 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 11' ' ' LEU . 13.4 mt -63.31 -42.56 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.106 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -41.38 83.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 65.310000000000002 110.859 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.3 m -59.86 -58.42 8.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.039999999999999 111.105 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.13 73.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.895 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 t -68.84 -40.78 79.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 64.150000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.916 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.95 -31.06 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 54.130000000000003 111.095 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 70' ' ' TYR . 81.9 mt 56.42 77.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.520000000000003 110.913 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.12 -34.16 4.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 74.129999999999995 112.458 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.19 28.76 4.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 71.319999999999993 112.499 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.7 m -117.72 114.41 23.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 75.230000000000004 110.844 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -19.39 40.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.912 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.07 -47.17 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.8 86.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.129999999999995 110.885 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 m -59.55 -40.32 86.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 61.329999999999998 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.01 -54.02 50.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 70.349999999999994 111.109 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -34.09 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.124 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 14' ' ' ILE . 3.2 m-30 -66.24 -49.1 68.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.209999999999994 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -58.13 -42.37 85.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 74.310000000000002 110.873 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -63.54 -55.85 20.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.340000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -51.97 -47.51 64.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.888 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.5 mm -61.46 -43.19 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 65.519999999999996 111.168 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.47 -48.28 74.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.530000000000001 111.087 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.75 91.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 64.340000000000003 111.113 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -57.56 -55.24 37.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.872 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.71 -38.79 91.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.3 t -64.31 -31.74 73.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 55.340000000000003 110.849 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -82.64 -32.0 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.9 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 56' ' ' LEU . 10.3 mt -77.76 -25.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 64.219999999999999 110.904 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -73.79 -20.98 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 110.956 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.59 66.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.074 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -86.41 -64.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 65.430000000000007 110.896 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.15 83.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 110.909 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.65 -121.79 27.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 61.109999999999999 112.485 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 mttm 51.33 70.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 73.409999999999997 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.11 13.75 83.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 70.450000000000003 112.515 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -171.2 76.68 0.53 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.632 0.73 . . . . 54.039999999999999 110.888 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -15.14 37.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.26 . . . . 73.150000000000006 112.36 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -32.35 28.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 70.200000000000003 110.879 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.3 t -56.05 -28.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 111.178 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -50.8 -55.17 18.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 72.239999999999995 110.949 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.33 -51.51 53.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 51.32 111.105 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 42' ' ' LEU . 76.7 mt -53.81 -44.21 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.96 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -59.47 -45.9 90.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.872 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -56.36 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.881 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.53 -50.99 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.907 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.57 -53.08 41.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.504 . . . . 74.030000000000001 111.113 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.86 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 63.310000000000002 111.112 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 -46.65 86.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 53.399999999999999 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.8 mt -59.74 -44.42 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 111.11 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -59.31 -47.08 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -58.95 -44.05 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.239999999999995 110.853 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.38 -48.59 81.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.7 m -57.4 -40.91 79.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 60.520000000000003 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -69.6 -31.24 69.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.439999999999998 110.882 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.75 -6.27 58.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 45.439999999999998 111.085 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.4 m-85 -103.24 -36.54 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 73.129999999999995 110.938 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -134.24 41.9 2.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.430000000000007 110.901 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.63 33.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.89 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.863 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.797 0.332 . . . . 72.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 52.81 -146.73 16.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 74.120000000000005 112.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.4 29.72 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.861 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -83.73 -41.9 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.049999999999997 110.911 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.05 -48.49 78.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 71.109999999999999 111.074 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -48.0 82.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 65.430000000000007 110.929 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.6 ' O ' HD12 ' A' ' 11' ' ' LEU . 4.3 m-85 -62.47 -38.93 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 110.848 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -65.2 -41.79 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -55.74 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 71.129999999999995 110.921 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -55.57 -45.55 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.519999999999996 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -62.51 -38.6 90.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 62.210000000000001 110.955 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.23 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.239999999999995 111.073 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.75 96.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 45.240000000000002 111.123 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.704 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 mt -65.28 -38.44 82.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 74.040000000000006 111.134 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.92 -42.8 80.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 71.409999999999997 110.901 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -62.34 -53.7 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 60.100000000000001 111.144 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -32.52 74.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.87 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' SG ' HG23 ' A' ' 63' ' ' ILE . 2.7 t -71.28 -39.39 71.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.349999999999994 110.908 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -71.1 -36.63 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.349999999999994 110.91 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.13 -30.3 34.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 63.420000000000002 111.108 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 70' ' ' TYR . 1.3 mp 51.57 28.41 4.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 53.140000000000001 110.946 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.16 -15.24 56.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 72.209999999999994 112.536 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.87 -86.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 64.150000000000006 112.493 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -160.51 153.7 21.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 73.530000000000001 110.818 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.1 -35.52 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.549999999999997 110.895 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.76 -35.86 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 53.439999999999998 111.094 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.92 -35.36 32.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 64.230000000000004 110.91 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.6 m -50.99 -45.53 61.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.020000000000003 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -54.32 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -35.23 64.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.74 -50.7 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.882 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -46.77 81.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 42.399999999999999 110.901 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -59.28 -50.77 72.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 53.130000000000003 110.871 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.26 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 65.209999999999994 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG21 ' A' ' 14' ' ' ILE . 33.7 mm -59.05 -45.28 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 111.111 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.24 -47.83 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 111.099 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.18 -34.3 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 64.209999999999994 111.115 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -55.03 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.140000000000001 110.892 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.11 -39.73 94.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.848 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.9 p -66.66 -30.13 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.140000000000001 110.855 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.92 -32.6 34.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 71.040000000000006 110.888 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mt -74.03 -33.99 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -19.83 65.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 65.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.46 57.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 45.409999999999997 111.147 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -59.54 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 72.030000000000001 110.933 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -179.68 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 61.130000000000003 110.876 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.48 -58.94 4.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 72.439999999999998 112.478 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -69.95 -21.78 63.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.341 . . . . 74.450000000000003 110.873 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.94 -58.44 10.51 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 54.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -143.98 158.73 55.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.597 0.713 . . . . 72.530000000000001 110.932 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -14.96 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.28 . . . . 62.299999999999997 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -49.42 -49.11 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.75 -31.4 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 64.010000000000005 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -30.81 71.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.49 -54.83 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.030000000000001 111.098 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 42' ' ' LEU . 8.6 mp -61.03 -37.94 84.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -43.62 84.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.140000000000001 110.859 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -61.59 -56.78 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 61.100000000000001 110.889 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.57 -51.59 66.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.63 -51.84 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.105 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.65 -45.36 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.030000000000001 111.088 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.53 85.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.140000000000001 111.12 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD11 ' HD3' ' A' ' 15' ' ' LYS . 5.9 mt -59.93 -44.24 94.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.124 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -47.3 85.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 110.887 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -58.98 -44.33 91.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 61.119999999999997 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.310000000000002 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.48 -42.77 83.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.5 -30.75 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 60.119999999999997 110.909 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.72 58.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.111 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.2 m-85 -100.9 -37.56 8.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 65.120000000000005 110.943 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.65 43.72 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 65.540000000000006 110.82 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -177.34 33.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 110.882 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 110.904 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.0 mtm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.862 0.363 . . . . 64.349999999999994 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.87 -121.66 5.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.757 . . . . 34.039999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -105.11 28.27 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 64.150000000000006 110.866 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -73.38 -44.91 57.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 75.129999999999995 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.13 76.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 64.400000000000006 111.108 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -47.73 84.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.858 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.653 ' CE2' HD21 ' A' ' 42' ' ' LEU . 2.5 m-85 -62.26 -40.72 97.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.889 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -64.38 -40.82 96.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.049999999999997 110.88 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.62 -53.42 51.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.926 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -46.34 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.329999999999998 110.896 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD22 HD23 ' A' ' 56' ' ' LEU . 1.4 tp -62.44 -38.79 91.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.510000000000005 110.942 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.55 -46.12 89.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 111.123 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 -41.61 95.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 111.131 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.817 HG23 ' CD1' ' A' ' 31' ' ' PHE . 49.1 mt -64.47 -41.62 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 64.409999999999997 111.151 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -42.63 84.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 110.915 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -60.08 -51.74 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 75.010000000000005 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -64.57 -37.36 87.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.129999999999995 110.893 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 m -67.46 -36.8 81.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 110.876 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -72.56 -43.36 63.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.916 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.25 -30.35 63.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.151 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 70' ' ' TYR . 3.3 mt 53.75 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 73.040000000000006 110.943 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.29 12.14 58.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 74.209999999999994 112.49 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.17 -60.7 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 52.240000000000002 112.493 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.97 134.98 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 60.109999999999999 110.911 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.6 -33.98 24.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.98 -33.66 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 61.539999999999999 111.071 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -50.92 -32.25 20.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.426 . . . . 70.549999999999997 110.858 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m -50.82 -44.68 59.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.857 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.46 -53.14 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.063 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.11 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 111.115 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.817 ' CD1' HG23 ' A' ' 14' ' ' ILE . 5.1 m-85 -64.0 -50.76 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -55.57 -47.72 75.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.882 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -50.14 75.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 65.329999999999998 110.884 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.86 -48.25 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 54.140000000000001 110.883 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 29.0 mm -59.31 -45.16 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 44.329999999999998 111.156 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.93 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 51.030000000000001 111.083 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.71 81.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 45.119999999999997 111.142 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -58.93 -54.92 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.019999999999996 110.874 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -64.46 -38.83 92.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 71.219999999999999 110.861 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 45.229999999999997 110.87 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.8 -37.16 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 110.897 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.827 HD22 HD13 ' A' ' 56' ' ' LEU . 7.5 mt -74.66 -28.99 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 72.109999999999999 110.887 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -21.28 61.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 44.409999999999997 110.875 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.87 -30.45 66.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 75.030000000000001 111.075 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -51.79 -59.73 3.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 73.230000000000004 110.941 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 63.07 64.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 65.409999999999997 110.932 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.08 -158.97 35.22 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 64.010000000000005 112.474 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.64 80.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 71.209999999999994 110.903 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.27 -4.88 79.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 70.109999999999999 112.51 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.534 HD22 HG21 ' A' ' 53' ' ' VAL . 3.8 m120 50.82 62.2 11.96 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 75.239999999999995 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 61.119999999999997 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.46 -24.47 66.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 70.219999999999999 110.889 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.65 ' HA ' HD12 ' A' ' 56' ' ' LEU . 58.3 t -72.81 -20.34 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.310000000000002 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -59.13 -38.02 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.881 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.78 -55.91 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 42.450000000000003 111.118 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.827 HD13 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -57.36 -38.86 74.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 73.230000000000004 110.91 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.27 -44.04 80.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 54.420000000000002 110.878 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -59.1 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 62.5 110.897 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.75 -51.5 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.14 -52.66 41.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.310000000000002 111.125 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.7 -44.83 73.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.129999999999995 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.87 93.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.123 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.39 -44.96 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.200000000000003 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.97 -45.54 94.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.885 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.95 -45.0 91.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.040000000000006 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.73 -51.5 69.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 70.219999999999999 110.888 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 63.420000000000002 110.889 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -78.24 -25.64 46.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 71.25 110.945 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.82 -3.28 58.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.319999999999993 111.098 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.524 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.3 m-85 -112.74 19.85 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 110.919 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 75.510000000000005 110.895 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -88.03 11.41 16.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 63.420000000000002 110.91 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.84 0.352 . . . . 75.120000000000005 110.843 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.71 -151.41 52.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 54.530000000000001 112.486 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -96.26 27.08 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 65.439999999999998 110.862 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CH2' HD13 ' A' ' 56' ' ' LEU . 15.0 t-105 -74.05 -45.71 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.329999999999998 110.917 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.03 54.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.143 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -53.03 62.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 110.865 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.703 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.4 m-85 -57.99 -34.78 70.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 72.200000000000003 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -66.18 -44.77 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.530000000000001 110.944 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -63.19 -59.24 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.310000000000002 110.887 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -46.73 70.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 60.200000000000003 110.882 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.46 -39.0 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.892 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.92 -46.1 90.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.329999999999998 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 111.105 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -62.31 -42.54 95.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.138 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HG3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -65.53 -42.23 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.892 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.1 m -58.8 -55.94 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 62.240000000000002 111.117 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -59.99 -37.03 78.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 75.019999999999996 110.91 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.534 ' SG ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -67.37 -41.18 85.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.874 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -66.7 -38.62 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 64.340000000000003 110.922 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.42 -30.89 47.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 65.349999999999994 111.099 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.1 mt 57.53 76.13 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.98 -33.38 5.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 43.210000000000001 112.463 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.46 75.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 74.329999999999998 112.495 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.4 m -164.6 114.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 72.400000000000006 110.865 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -23.62 41.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.299999999999997 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.8 -49.87 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 62.32 111.119 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -50.76 -50.75 55.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.9 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -55.11 -41.55 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.836 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.09 -52.82 63.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 51.049999999999997 111.099 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.5 -34.71 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 111.109 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -66.6 -50.14 64.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 71.409999999999997 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -56.13 -45.71 79.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 61.009999999999998 110.868 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -55.43 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 71.400000000000006 110.933 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.82 -47.14 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.329999999999998 110.876 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' HB1' ' A' ' 60' ' ' ALA . 27.8 mm -60.59 -44.11 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 73.319999999999993 111.106 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.51 -49.02 73.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 63.520000000000003 111.133 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.79 -34.04 76.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.340000000000003 111.085 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -55.02 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 71.200000000000003 110.907 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -63.52 -39.35 94.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 61.450000000000003 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.2 t -67.04 -30.77 70.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.876 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -82.58 -30.1 29.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD13 HD23 ' A' ' 56' ' ' LEU . 11.6 mt -79.14 -29.88 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 110.873 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -18.98 59.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 72.109999999999999 110.95 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.89 -16.94 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 62.210000000000001 111.08 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' HE2' HD23 ' A' ' 42' ' ' LEU . 4.0 m-85 -53.46 -64.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 63.340000000000003 110.949 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.75 66.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 71.049999999999997 110.861 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.6 49.22 3.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 55.399999999999999 112.547 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tttp 50.8 87.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 72.400000000000006 110.921 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.06 57.81 6.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.673 -0.775 . . . . 74.230000000000004 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -111.76 78.98 2.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 73.450000000000003 110.899 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.86 36.76 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 61.520000000000003 112.373 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -55.07 -36.88 66.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 70.230000000000004 110.885 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 42' ' ' LEU . 88.8 t -68.19 -26.73 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 72.549999999999997 111.151 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -50.48 -48.75 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 65.340000000000003 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.73 85.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 72.439999999999998 111.064 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -65.08 -51.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.439999999999998 110.914 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -62.79 -37.27 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.874 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -55.4 29.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.954 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.98 -44.02 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.915 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -55.84 -54.0 49.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 62.350000000000001 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.77 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 74.049999999999997 111.117 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.62 97.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG23 ' SG ' ' A' ' 18' ' ' CYS . 10.8 mt -62.07 -40.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 52.340000000000003 111.102 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -67.93 -35.23 78.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 110.879 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -66.28 -47.91 72.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.852 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.13 -43.8 94.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.943 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 82.5 m -60.67 -40.07 90.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 42.329999999999998 110.9 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -72.03 -30.16 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 54.200000000000003 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.94 -9.85 59.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.094 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -95.92 -38.64 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 73.319999999999993 110.914 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 47.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 65.120000000000005 110.889 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.68 33.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 54.340000000000003 110.823 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.239999999999995 110.877 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.0 mtt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.38 -128.15 8.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 61.130000000000003 112.521 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -54.56 -36.7 64.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 51.32 110.818 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 12.9 t90 -72.32 -45.51 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.98 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.97 24.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.127 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -57.93 -52.0 67.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 60.020000000000003 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' CD2' HD21 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -57.66 -35.03 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.867 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -66.44 -44.56 82.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 61.329999999999998 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -57.9 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.917 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -55.84 -44.01 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.430000000000007 110.894 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 63' ' ' ILE . 4.1 tt -62.39 -39.79 94.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 63.350000000000001 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.75 91.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 41.25 111.081 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.5 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.319999999999993 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.5 mt -63.5 -40.77 90.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 73.530000000000001 111.136 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -66.17 -44.56 83.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.8 m -59.23 -50.31 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 70.030000000000001 111.179 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -44.34 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.63 91.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.911 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -63.56 -35.44 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 53.229999999999997 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.28 -26.8 52.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 111.076 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt 50.74 29.51 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.909 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.51 36.91 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 61.439999999999998 112.465 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.15 -58.25 0.33 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 73.109999999999999 112.51 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.45 139.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 74.400000000000006 110.849 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -58.13 -29.07 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.129999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.33 -39.75 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 61.539999999999999 111.133 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -34.87 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 110.906 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 92.5 m -49.53 -44.67 46.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 73.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.03 62.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 53.549999999999997 111.127 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.79 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 64.340000000000003 111.129 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -50.81 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 110.906 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -55.92 -46.34 78.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 51.520000000000003 110.929 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -52.39 65.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 52.25 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -51.7 -48.61 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 44.210000000000001 110.915 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.7 mm -59.41 -44.75 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 70.150000000000006 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.73 -49.16 71.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 55.32 111.047 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.07 -33.67 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 75.150000000000006 111.091 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.58 -53.48 56.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.866 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 13.9 pt-20 -64.77 -39.83 94.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 62.109999999999999 110.893 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.65 -31.71 72.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.400000000000006 110.831 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -81.51 -30.24 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.881 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.023 HD22 HD13 ' A' ' 56' ' ' LEU . 17.3 mt -77.65 -30.36 52.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 110.929 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -16.13 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.904 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.38 40.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 61.100000000000001 111.108 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.57 -63.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.956 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -178.37 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 75.510000000000005 110.899 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.9 -60.95 0.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 62.219999999999999 112.491 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -51.46 -47.99 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 42.299999999999997 110.902 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -108.2 17.48 34.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 54.229999999999997 112.457 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -139.29 80.52 22.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.648 0.737 . . . . 71.540000000000006 110.923 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.49 36.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 72.040000000000006 112.327 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.17 -33.77 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 110.882 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.677 ' HA ' HD12 ' A' ' 56' ' ' LEU . 47.5 t -63.68 -19.99 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 71.439999999999998 111.172 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.83 -59.03 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 74.510000000000005 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HB3' ' CZ2' ' A' ' 4' ' ' TRP . . . -57.31 -35.38 69.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 111.094 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD13 HD22 ' A' ' 42' ' ' LEU . 16.3 mt -65.88 -42.35 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -43.83 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 110.903 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -63.57 -59.54 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.891 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -54.04 -51.5 63.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.882 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.24 -52.47 44.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 43.43 111.097 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.94 -45.96 71.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.41 87.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 60' ' ' ALA . 8.7 mt -59.92 -46.09 94.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 72.439999999999998 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -47.13 83.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.349999999999994 110.896 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -59.32 -42.74 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.319999999999993 110.871 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.97 -44.94 94.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 70.540000000000006 110.897 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.4 m -59.21 -43.14 92.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.010000000000005 110.936 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.92 -29.17 62.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.150000000000006 110.905 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.97 -20.94 62.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 62.229999999999997 111.081 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.43 -41.39 93.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.986 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.75 54.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 73.430000000000007 110.901 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -179.9 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.839 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 75.219999999999999 110.892 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 1.6 mtt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.854 0.359 . . . . 64.120000000000005 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.18 -118.06 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 51.43 112.471 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -81.87 -29.22 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 74.310000000000002 110.851 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 8.5 t-105 -74.91 -36.0 62.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.918 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 1' ' ' MET . . . -50.38 -54.15 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 111.142 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.59 -56.29 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 55.549999999999997 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -51.45 -39.82 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.450000000000003 110.914 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.58 -39.97 94.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.871 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.48 -41.55 98.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.931 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -67.34 -44.08 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.868 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -67.14 -35.55 79.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.420000000000002 110.908 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.35 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.409999999999997 111.153 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' HH11 ' A' ' 17' ' ' ARG . . . -67.74 -40.33 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.147 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.785 HG23 ' CD1' ' A' ' 31' ' ' PHE . 39.0 mt -67.74 -41.4 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.128 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -41.06 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.299999999999997 110.928 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -62.91 -52.08 64.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 70.209999999999994 111.154 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.601 HH11 ' HB1' ' A' ' 13' ' ' ALA . 1.4 mtt180 -65.55 -33.37 75.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.862 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.0 -41.59 67.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 45.210000000000001 110.877 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -70.78 -34.2 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.510000000000005 110.92 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.88 -30.74 28.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 70.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD21 ' CD2' ' A' ' 70' ' ' TYR . 52.7 mt 54.84 72.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 110.905 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.59 -31.29 7.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 43.520000000000003 112.492 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.8 70.77 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 54.329999999999998 112.444 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 m -160.24 116.21 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 71.400000000000006 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -21.01 59.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 72.340000000000003 110.904 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.09 -44.54 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 51.310000000000002 111.075 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -50.91 -51.43 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 52.039999999999999 110.896 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 m -53.57 -46.27 70.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 72.340000000000003 110.923 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.99 -49.19 78.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 111.059 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.31 66.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 63.299999999999997 111.104 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.785 ' CD1' HG23 ' A' ' 14' ' ' ILE . 19.5 m-85 -67.59 -51.48 49.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 55.100000000000001 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -51.73 -45.77 63.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 62.509999999999998 110.851 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -65.75 -55.41 17.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.89 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -48.15 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.873 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.565 ' CD1' HD13 ' A' ' 63' ' ' ILE . 34.6 mm -61.49 -43.38 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.209999999999994 111.119 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.39 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 65.420000000000002 111.089 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.77 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.073 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -54.37 40.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.549999999999997 110.852 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -66.33 -38.15 87.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.319999999999993 110.916 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -68.92 -29.98 68.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.857 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -82.76 -31.62 28.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.009999999999998 110.884 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.871 HD22 HD13 ' A' ' 56' ' ' LEU . 11.5 mt -80.11 -28.33 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.92 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -77.85 -21.74 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.941 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.63 -28.32 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.510000000000005 111.094 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -51.73 -59.95 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 73.349999999999994 110.913 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.41 -46.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 64.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.16 172.26 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 74.439999999999998 112.498 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt 70.7 -70.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 72.209999999999994 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.2 -64.26 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.749 . . . . 64.409999999999997 112.485 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . 18.3 m120 -50.68 108.71 1.09 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 64.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 50' ' ' ASN . 53.6 Cg_endo -69.73 -15.85 37.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 71.230000000000004 112.321 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.22 -46.08 78.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.822 ' HA ' HD12 ' A' ' 56' ' ' LEU . 21.8 t -58.55 -20.54 16.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.129999999999995 111.13 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.6 -52.15 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 64.120000000000005 110.929 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -61.09 -48.54 81.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.081 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 42' ' ' LEU . 2.3 mt -58.18 -41.18 83.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 61.130000000000003 110.892 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -63.7 -44.92 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.28 -58.87 6.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 74.409999999999997 110.9 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.1 -49.82 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 110.904 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB1' ' CG2' ' A' ' 35' ' ' ILE . . . -51.89 -53.72 37.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.129999999999995 111.124 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.5 72.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.0 86.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.134 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' CD1' ' A' ' 35' ' ' ILE . 11.3 mt -59.84 -44.28 93.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 111.144 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -59.13 -47.74 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 71.439999999999998 110.866 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -58.65 -44.06 89.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.831 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.05 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.8 m -57.35 -42.45 82.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.873 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -69.26 -29.78 67.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 65.25 110.936 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.46 -6.35 58.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 75.430000000000007 111.137 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.703 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.1 m-85 -101.64 -37.3 8.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 71.209999999999994 110.957 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -135.25 43.09 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 73.140000000000001 110.885 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.92 33.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.019999999999996 110.871 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.879 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.821 0.343 . . . . 74.450000000000003 110.856 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.37 -143.09 46.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 72.439999999999998 112.476 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -65.68 -30.44 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 44.210000000000001 110.815 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' HH2' ' HB3' ' A' ' 55' ' ' ALA . 15.6 t-105 -59.24 -44.37 92.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.41 -50.48 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.064 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.34 -49.87 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.883 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.0 m-85 -58.3 -42.95 87.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 65.540000000000006 110.861 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -61.89 -42.09 98.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -56.61 18.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.349999999999994 110.935 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -45.6 70.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 ' CD2' ' A' ' 38' ' ' PHE . 2.2 tp -60.55 -41.62 94.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.030000000000001 110.934 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.81 93.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.129 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.33 -42.2 98.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 45.039999999999999 111.087 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.816 HG21 HD11 ' A' ' 35' ' ' ILE . 14.0 mt -64.31 -39.14 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 65.340000000000003 111.109 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -42.76 82.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.852 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -61.91 -54.11 46.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -33.15 74.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 75.040000000000006 110.843 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.0 t -69.52 -36.72 76.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 71.010000000000005 110.844 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.47 -43.7 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 62.039999999999999 110.95 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.88 -27.17 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.049999999999997 111.1 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 70' ' ' TYR . 51.0 mt 51.72 28.41 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.917 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.04 13.51 66.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.32 112.484 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.2 -69.01 1.42 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.79 -0.719 . . . . 63.219999999999999 112.459 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.82 141.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.439999999999998 110.848 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.11 -36.05 28.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 73.310000000000002 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.94 -36.51 19.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.09 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.46 -33.94 33.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.2 m -51.43 -44.76 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 110.86 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.34 44.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 111.096 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.02 -34.59 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.079 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -50.41 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.510000000000005 110.895 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.82 -47.7 81.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 71.310000000000002 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -58.74 -49.99 75.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.875 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.47 -47.96 69.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 61.100000000000001 110.92 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 HG21 ' A' ' 14' ' ' ILE . 35.1 mm -59.4 -44.88 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 111.113 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.98 76.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.030000000000001 111.066 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -31.11 70.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.450000000000003 111.125 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.523 ' CD2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -62.83 -53.99 45.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 62.549999999999997 110.86 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.94 -37.8 84.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 55.350000000000001 110.881 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -69.45 -28.47 66.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.812 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -82.82 -34.6 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD22 HD13 ' A' ' 56' ' ' LEU . 9.9 mt -77.92 -29.11 49.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.875 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -22.36 58.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 110.853 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.55 -21.51 57.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 75.420000000000002 111.108 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -51.42 -60.32 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.937 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.6 -60.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 73.030000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.07 -61.77 4.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 33.420000000000002 112.52 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -51.98 -68.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.439999999999998 110.934 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.01 -19.96 78.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 42.420000000000002 112.519 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -114.94 73.49 3.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.647 0.737 . . . . 71.219999999999999 110.859 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.72 37.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 75.129999999999995 112.325 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.46 -30.4 52.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 60.340000000000003 110.877 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 56' ' ' LEU . 66.5 t -62.15 -20.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 111.166 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -51.56 -35.88 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' ' HH2' ' A' ' 4' ' ' TRP . . . -65.99 -51.17 60.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 62.32 111.087 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 42' ' ' LEU . 2.0 mt -60.46 -37.43 80.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 110.915 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -44.2 83.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.882 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -62.66 -59.26 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.530000000000001 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -54.41 -50.1 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.549999999999997 110.904 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.561 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -52.05 -53.11 45.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 111.064 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.57 -44.87 73.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 111.094 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.28 90.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 111.067 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 60' ' ' ALA . 6.3 mt -61.24 -43.67 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.132 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -46.36 89.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.831 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -60.51 -44.07 96.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 71.040000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.87 -43.26 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.866 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.6 m -61.5 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 74.140000000000001 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -64.69 -39.72 94.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.905 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.11 87.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 65.219999999999999 111.083 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CG ' HD11 ' A' ' 21' ' ' LEU . 22.7 m-85 -60.73 -17.95 51.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 65.319999999999993 110.89 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.0 30.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 64.349999999999994 110.861 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.8 t60 64.76 24.6 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 110.842 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 110.869 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.814 0.34 . . . . 74.120000000000005 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.27 -137.27 47.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 24.050000000000001 112.49 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.67 30.34 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 72.200000000000003 110.846 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -79.46 -47.42 15.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 74.25 110.902 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.18 -50.4 49.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 64.150000000000006 111.072 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.67 -51.15 71.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.858 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 42' ' ' LEU . 2.3 m-85 -59.49 -35.93 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 75.430000000000007 110.839 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.881 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -59.08 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.420000000000002 110.931 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.29 -45.86 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.91 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.62 -39.03 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.909 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -47.06 87.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 54.030000000000001 111.113 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.05 97.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 111.124 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mt -64.26 -38.37 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 63.409999999999997 111.109 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -45.51 87.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -61.39 -54.55 42.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 62.420000000000002 111.164 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -62.11 -29.8 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.862 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.12 -42.12 60.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 55.030000000000001 110.832 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -63.29 -41.17 98.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 43.229999999999997 110.905 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.25 -12.8 39.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.129999999999995 111.087 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SG ' ' A' ' 28' ' ' CYS . 15.5 mt 63.94 12.52 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.895 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.82 28.16 3.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 62.420000000000002 112.457 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.38 29.96 11.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 72.209999999999994 112.505 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m -136.69 123.58 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 51.219999999999999 110.879 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -19.9 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 71.519999999999996 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -39.65 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 54.210000000000001 111.09 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -49.94 -41.71 46.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 64.140000000000001 110.874 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.55 ' SG ' HD22 ' A' ' 21' ' ' LEU . 39.4 m -50.09 -49.02 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.53 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 43.210000000000001 111.07 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.58 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 64.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -62.52 -46.26 89.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.881 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.08 -46.6 78.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.78 -58.55 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.882 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -47.6 61.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.049999999999997 110.918 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.8 -43.22 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 63.509999999999998 111.163 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.08 -48.04 74.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 54.119999999999997 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.82 92.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.108 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -56.71 17.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 42' ' ' LEU . 11.6 pt-20 -60.68 -40.37 91.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 71.129999999999995 110.876 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -62.79 -31.98 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.329999999999998 110.893 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.4 -32.23 37.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.861 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.633 ' CD2' HD23 ' A' ' 56' ' ' LEU . 5.2 mt -72.19 -34.14 68.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -18.78 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.400000000000006 110.911 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.66 52.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 43.310000000000002 111.094 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -73.02 -65.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 65.439999999999998 110.939 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? 49.92 57.45 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 72.129999999999995 110.874 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 123.22 6.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 51.210000000000001 112.48 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -51.27 -62.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 74.209999999999994 110.87 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.37 27.24 12.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 71.340000000000003 112.528 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -111.07 80.96 2.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 62.539999999999999 110.946 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -14.57 36.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 62.210000000000001 112.356 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -55.81 -31.24 62.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 110.904 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.09 -19.71 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.019999999999996 111.145 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -58.33 -56.96 15.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 64.109999999999999 110.851 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.34 -40.53 85.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.130000000000003 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD23 ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -59.47 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.420000000000002 110.923 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -42.69 95.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.881 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -58.97 5.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.230000000000004 110.902 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.16 -49.81 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.886 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.18 -54.39 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.136 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.86 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 62.119999999999997 111.095 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.11 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 111.082 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.46 -44.7 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 111.123 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.24 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.540000000000006 110.853 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.09 -44.63 87.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 63.210000000000001 110.887 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.39 -46.76 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 62.549999999999997 110.866 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.34 -44.72 84.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 64.430000000000007 110.9 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.34 -28.58 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.91 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.62 -6.84 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 63.119999999999997 111.086 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.52 ' CD2' HD21 ' A' ' 21' ' ' LEU . 22.0 m-85 -99.7 -38.19 8.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.91 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.39 44.39 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.349999999999994 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -177.13 33.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.409999999999997 110.896 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.901 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' N ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.801 0.334 . . . . 75.540000000000006 110.894 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.19 -126.19 37.74 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 74.349999999999994 112.474 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -69.14 -38.19 78.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.344 . . . . 63.520000000000003 110.881 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -52.15 -44.57 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.917 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 1' ' ' MET . . . -51.64 -50.08 61.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 43.210000000000001 111.129 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.3 -49.19 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 71.409999999999997 110.86 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -59.22 -39.43 82.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.899 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -44.44 89.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 72.310000000000002 110.852 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.26 -60.08 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.957 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -47.12 64.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.841 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 7' ' ' PHE . 1.5 mt -56.8 -44.56 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 60.539999999999999 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.44 87.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.113 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.53 98.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 21.52 111.124 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.825 HG21 HD11 ' A' ' 35' ' ' ILE . 28.6 mm -62.1 -41.7 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 72.25 111.119 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -42.68 92.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 m -60.8 -56.03 26.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 74.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.872 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.81 -36.6 75.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 54.439999999999998 110.871 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -73.81 -43.67 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.939 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 -28.82 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 55.329999999999998 111.095 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.6 OUTLIER 57.36 22.02 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.030000000000001 110.914 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.59 -14.1 78.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 52.329999999999998 112.486 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.02 -76.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.496 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.95 146.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -37.43 32.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 72.450000000000003 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.87 -37.12 19.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 63.130000000000003 111.063 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.39 -34.09 32.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.019999999999996 110.93 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.32 -44.72 62.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 71.010000000000005 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.18 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.16 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.239999999999995 111.051 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -50.66 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.904 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -48.29 80.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.874 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -51.23 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.03 -48.96 64.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 73.019999999999996 110.889 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.825 HD11 HG21 ' A' ' 14' ' ' ILE . 31.9 mm -59.5 -44.22 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.104 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.27 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 72.040000000000006 111.074 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.109999999999999 111.069 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -54.01 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.85 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -65.71 -38.75 90.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.924 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p -68.34 -28.1 66.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 63.439999999999998 110.85 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -81.94 -35.0 29.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.918 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 56' ' ' LEU . 22.9 mt -75.98 -31.15 58.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 61.420000000000002 110.887 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -21.26 60.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 55.509999999999998 110.904 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.86 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 111.052 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -51.9 -60.72 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.319999999999993 110.898 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 -58.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 63.219999999999999 110.866 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.45 -56.64 4.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 55.119999999999997 112.429 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -51.86 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.922 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.23 -16.39 79.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 74.019999999999996 112.482 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -113.66 74.27 2.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 54.539999999999999 110.843 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -15.67 36.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 61.200000000000003 112.358 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -53.89 -34.71 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 71.040000000000006 110.883 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.754 ' HA ' HD12 ' A' ' 56' ' ' LEU . 98.2 t -58.63 -21.39 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.519999999999996 111.116 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -50.11 -57.08 8.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.93 58.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 111.069 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 53' ' ' VAL . 9.1 mt -56.37 -41.6 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.851 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -61.13 -45.26 95.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.885 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.64 -58.12 9.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.520000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.35 -52.65 60.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 63' ' ' ILE . . . -51.06 -52.04 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.310000000000002 111.103 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.73 -44.87 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 60.200000000000003 111.089 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.17 88.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 61.409999999999997 111.085 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 60' ' ' ALA . 5.7 mt -60.73 -43.59 95.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 52.100000000000001 111.105 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -60.03 -46.54 89.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 75.420000000000002 110.846 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -60.17 -44.0 95.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.834 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.83 -45.37 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 60.420000000000002 110.862 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 87.9 m -59.82 -41.62 91.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 61.439999999999998 110.906 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.74 -40.05 91.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 75.439999999999998 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.22 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 53.420000000000002 111.06 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.443 ' CD2' HD21 ' A' ' 21' ' ' LEU . 23.1 m-85 -61.27 -16.95 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 72.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 29.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 73.25 110.814 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.6 t60 65.34 25.47 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.837 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.540000000000006 110.845 -179.901 . . . . . . . . 1 1 . 1 stop_ save_