data_6v6t_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6v6t _Structure_validation_residue.Date_analyzed 2020-05-08 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' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 72.21 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 73.34 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 74.04 110.932 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.13 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 73.05 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.54 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.45 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 74.33 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.842 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.35 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 75.45 110.912 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 74.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 72.34 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 72.21 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.905 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 74.13 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 73.05 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.45 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 74.33 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 75.45 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 72.34 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 64.22 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.314 . . . . 72.21 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 73.34 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.04 110.929 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 74.13 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 73.05 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 74.33 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.814 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 71.35 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 74.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 72.21 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 74.04 111.011 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 74.13 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 73.05 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 70.54 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.45 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 74.33 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.913 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.963 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.832 0.349 . . . . 72.21 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 74.04 110.916 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 74.13 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 73.05 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 70.54 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 74.33 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 71.35 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.945 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.302 . . . . 72.21 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 74.04 110.906 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 73.05 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 74.33 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 71.35 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 72.34 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.87 0.367 . . . . 72.21 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.887 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 74.13 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 73.05 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 70.54 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.45 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 74.33 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.857 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.45 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 72.21 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 74.04 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.885 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 74.13 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 73.05 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 70.54 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 74.33 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.906 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 74.0 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.746 0.308 . . . . 72.21 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.34 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.04 110.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 74.13 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 73.05 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.45 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 74.33 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 75.45 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 74.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 72.34 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 72.21 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 73.34 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 74.04 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.872 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 74.13 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 73.05 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 70.54 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 74.33 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 71.35 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.45 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 74.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.812 0.339 . . . . 72.21 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.869 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 73.05 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.54 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 74.33 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.892 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.943 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.34 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 64.22 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.857 0.361 . . . . 72.21 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 74.13 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 73.05 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 74.33 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.852 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.856 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 72.21 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.04 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 74.13 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 73.05 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 70.54 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 74.33 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.933 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.965 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 74.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 64.22 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.824 0.345 . . . . 72.21 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 74.04 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 74.13 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 73.05 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.45 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 74.33 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.35 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.89 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 74.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 72.34 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 64.22 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 72.21 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 73.41 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 74.04 110.897 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 74.13 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 73.05 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 70.54 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 74.33 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.889 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 72.34 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.22 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 72.21 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 73.34 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.878 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 74.13 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 73.05 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 74.33 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 74.23 110.836 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.871 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.34 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.22 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 72.21 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.99 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.82 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 73.05 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 74.33 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.889 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.922 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.34 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.321 . . . . 72.21 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 73.41 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 74.13 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 73.05 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 70.54 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.45 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 74.33 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.35 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.944 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 72.34 110.87 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 64.22 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 72.21 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.04 110.938 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 73.05 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 74.33 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 74.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.778 0.323 . . . . 72.21 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.86 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.89 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 74.13 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 73.05 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 70.54 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 74.33 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 71.35 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 75.45 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 72.34 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.813 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.33 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.8 21.56 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 44.14 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.94 162.96 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.21 110.859 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 73.34 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 73.41 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 74.04 110.932 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.923 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.13 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 73.05 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 70.54 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.45 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 74.33 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.842 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.35 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 75.45 110.912 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 74.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 72.34 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.876 0.37 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -99.39 21.59 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 44.14 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.54 165.33 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.905 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 74.13 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 73.05 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.45 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 74.33 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.907 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 75.45 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 72.34 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 64.22 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 74.33 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.52 21.63 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 44.14 110.858 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.54 165.05 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 73.34 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.04 110.929 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 74.13 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 73.05 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 74.33 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.814 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 71.35 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 74.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.864 0.364 . . . . 74.33 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -97.82 21.61 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 44.14 110.859 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.3 159.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.917 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 74.04 111.011 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 74.13 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 73.05 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 70.54 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.45 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 74.33 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 74.23 110.913 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 71.35 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 75.45 110.963 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 74.0 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 74.33 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -97.73 21.5 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 44.14 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.37 164.44 21.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 74.04 110.916 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 74.13 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 73.05 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 70.54 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 74.33 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 71.35 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.45 110.945 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 74.33 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -107.67 21.42 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 44.14 110.924 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 160.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 72.21 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 73.41 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 74.04 110.906 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 73.05 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 74.33 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 71.35 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.885 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 74.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 72.34 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 64.22 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.896 0.379 . . . . 74.33 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -101.09 21.45 13.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 44.14 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.64 165.2 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.887 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 74.33 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 74.13 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 73.05 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 70.54 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.45 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 74.33 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.857 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.45 110.888 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.34 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.22 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.33 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -102.55 21.6 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 44.14 110.921 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.18 165.95 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 74.04 110.891 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.885 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 74.13 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 73.05 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 70.54 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 74.33 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.906 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.35 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 74.0 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.905 0.383 . . . . 74.33 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -103.94 21.65 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 44.14 110.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.1 167.58 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 72.21 110.921 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.34 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 74.04 110.982 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.881 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 74.13 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 73.05 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 70.54 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.45 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 74.33 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 75.45 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 74.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 72.34 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.863 0.363 . . . . 74.33 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -97.55 21.55 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 44.14 110.86 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.82 167.7 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 73.34 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 74.04 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.872 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 74.13 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 73.05 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 70.54 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 74.33 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.23 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 71.35 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.45 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 74.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.783 0.325 . . . . 74.33 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -103.88 21.61 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 44.14 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.7 167.06 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 72.21 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.869 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.33 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 73.05 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.54 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 74.33 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.892 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 71.35 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.943 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 74.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 72.34 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 64.22 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.2 21.57 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 44.14 110.889 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.47 162.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.854 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.952 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 74.13 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 73.05 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 70.54 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.45 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 74.33 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.852 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.856 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 74.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 74.33 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -101.18 21.61 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 44.14 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -50.57 160.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 72.21 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.04 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 74.13 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 73.05 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 70.54 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 74.33 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.933 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.965 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 74.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 64.22 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 74.33 110.772 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -102.94 21.7 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 44.14 110.93 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.93 167.21 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 72.21 110.836 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 74.04 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.88 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 74.13 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 73.05 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.45 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 74.33 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.35 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.89 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 74.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 72.34 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 64.22 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 74.33 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.12 21.55 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 44.14 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.74 167.35 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.858 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 73.41 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 74.04 110.897 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 74.33 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 74.13 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 73.05 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 70.54 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 74.33 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.889 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 72.34 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 64.22 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.33 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.77 21.6 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 44.14 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.54 160.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 72.21 110.826 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 73.34 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.878 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 74.13 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 73.05 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.45 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 74.33 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 74.23 110.836 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.871 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.34 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.22 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.875 0.369 . . . . 74.33 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -109.58 21.64 16.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 44.14 110.833 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.76 168.82 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.99 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.82 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 74.13 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 73.05 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 74.33 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.889 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.922 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 72.34 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 64.22 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.806 0.336 . . . . 74.33 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -101.54 21.59 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 44.14 110.952 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p -125.16 164.06 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 72.21 110.871 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 73.41 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 74.04 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 74.13 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 73.05 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 70.54 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.45 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 74.33 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.35 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.944 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 72.34 110.87 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 64.22 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.878 0.371 . . . . 74.33 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.69 21.48 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 44.14 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -126.31 166.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 72.21 110.899 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.04 110.938 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 73.05 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.45 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 74.33 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 71.35 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 75.45 110.905 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 74.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 72.34 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 64.22 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.87 0.367 . . . . 74.33 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.23 21.66 17.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.088 -0.506 . . . . 44.14 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -50.56 161.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 72.21 110.838 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 74.04 110.86 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.89 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 74.13 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 73.05 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 70.54 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 74.33 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 71.35 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 75.45 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 72.34 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.813 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 72.21 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 72.41 110.932 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' HD1' HD23 ' A' ' 6' ' ' LEU . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 52.05 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 72.22 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 62.05 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 43.2 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.52 110.842 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 55.24 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 71.04 110.912 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.01 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 63.11 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.632 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 60.01 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 72.21 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 52.05 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 72.22 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 62.05 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 43.2 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.594 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 62.52 110.907 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 55.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 71.04 110.896 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.01 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 63.11 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.664 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 60.01 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.314 . . . . 72.21 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 72.4 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.52 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 72.41 110.929 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 52.05 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 72.22 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 43.2 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 62.52 110.814 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 55.24 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.6 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.951 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 65.01 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.679 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 60.01 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 72.21 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 72.41 111.011 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HD1' HD23 ' A' ' 6' ' ' LEU . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 61.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 52.05 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 72.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.05 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD23 ' CA ' ' A' ' 31' ' ' TRP . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 43.2 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.52 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 55.24 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.963 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 65.01 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 63.11 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CA ' HD23 ' A' ' 20' ' ' LEU . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 60.01 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.832 0.349 . . . . 72.21 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.41 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 61.3 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 52.05 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 72.22 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 62.05 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 43.2 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 26' ' ' LEU . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.844 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 55.24 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.945 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 65.01 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 63.11 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 60.01 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.302 . . . . 72.21 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 72.41 110.906 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.3 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 52.05 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 72.22 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 43.2 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.611 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.89 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 55.24 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.611 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.885 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 60.01 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.87 0.367 . . . . 72.21 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 72.41 110.887 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 61.3 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 52.05 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 72.22 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 62.05 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 43.2 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.857 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 55.24 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.888 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 65.01 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 60.01 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 72.21 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.52 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HD1' HD23 ' A' ' 6' ' ' LEU . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 52.05 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 72.22 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 62.05 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 31' ' ' TRP . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 43.2 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 62.52 110.906 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 55.24 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 65.01 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 63.11 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.681 ' HA ' HD23 ' A' ' 20' ' ' LEU . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 60.01 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.746 0.308 . . . . 72.21 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 72.4 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.52 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 72.41 110.982 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 6' ' ' LEU . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 61.3 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 52.05 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 72.22 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.05 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 43.2 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.765 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.52 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 55.24 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.765 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.866 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 65.01 110.902 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 63.11 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.672 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.01 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 72.21 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 64.52 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.3 110.872 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 52.05 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 72.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 62.05 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 43.2 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.802 ' HD3' HD13 ' A' ' 26' ' ' LEU . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.52 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 55.24 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 71.04 110.924 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 65.01 110.895 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 63.11 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.671 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 60.01 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.812 0.339 . . . . 72.21 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.4 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.869 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 61.3 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 52.05 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 72.22 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 62.05 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 43.2 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 62.52 110.892 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.759 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 65.01 110.916 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 60.01 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.857 0.361 . . . . 72.21 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 61.3 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 52.05 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 72.22 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.05 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 43.2 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.52 110.852 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.04 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 65.01 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 60.01 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 72.21 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 52.05 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.22 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 62.05 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 31' ' ' TRP . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 43.2 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HD3' HD23 ' A' ' 26' ' ' LEU . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 62.52 110.933 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 55.24 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 65.01 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.65 ' CA ' HD23 ' A' ' 20' ' ' LEU . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 60.01 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.824 0.345 . . . . 72.21 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 72.41 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 6' ' ' LEU . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 61.3 110.88 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 52.05 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 72.22 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.05 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 43.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.52 110.846 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 55.24 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 65.01 110.899 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 63.11 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 60.01 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 72.21 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 72.41 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 52.05 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 72.22 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 62.05 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 43.2 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.815 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.889 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.815 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 71.04 110.924 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 65.01 110.906 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 63.11 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.658 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 60.01 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 72.21 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.928 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' HD23 ' A' ' 6' ' ' LEU . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 61.3 110.878 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 52.05 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 72.22 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.05 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 31' ' ' TRP . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 43.2 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HD23 ' A' ' 26' ' ' LEU . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 62.52 110.836 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.699 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.871 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.01 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 63.11 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.651 ' CA ' HD23 ' A' ' 20' ' ' LEU . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 60.01 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 72.21 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 64.52 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD23 ' HD1' ' A' ' 7' ' ' PHE . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.99 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HD1' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.82 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 52.05 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 72.22 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 43.2 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.788 ' HD3' HD13 ' A' ' 26' ' ' LEU . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 62.52 110.893 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 55.24 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 71.04 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 65.01 110.922 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 63.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 20' ' ' LEU . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 60.01 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.321 . . . . 72.21 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.4 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 64.52 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.3 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 52.05 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 72.22 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 62.05 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' HD12 ' A' ' 20' ' ' LEU . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 29' ' ' CYS . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 43.2 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 55.24 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.944 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.6 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.87 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.48 ' HE3' HD21 ' A' ' 20' ' ' LEU . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 60.01 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 72.21 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.938 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 52.05 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 72.22 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 43.2 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.798 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 62.52 110.864 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 55.24 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.798 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.638 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 65.01 110.936 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 63.11 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 60.01 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.778 0.323 . . . . 72.21 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 64.52 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 7' ' ' PHE . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HD23 ' A' ' 6' ' ' LEU . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 61.3 110.89 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 52.05 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 72.22 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 62.05 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 43.2 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' HD3' HD13 ' A' ' 26' ' ' LEU . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 55.24 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.04 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 65.01 111.002 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.604 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.813 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.33 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.8 21.56 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 43.34 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.94 162.96 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.21 110.859 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 72.41 110.932 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' HD1' HD23 ' A' ' 6' ' ' LEU . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 52.05 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 72.22 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 62.05 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 43.2 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.52 110.842 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 55.24 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 71.04 110.912 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.01 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 63.11 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.632 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 60.01 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.876 0.37 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -99.39 21.59 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 43.34 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.54 165.33 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 52.05 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 72.22 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 62.05 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 43.2 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.594 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 62.52 110.907 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 55.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 71.04 110.896 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.01 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 63.11 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.664 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 60.01 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 74.33 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.52 21.63 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 43.34 110.858 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.54 165.05 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 72.4 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.52 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 72.41 110.929 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 52.05 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 72.22 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 43.2 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 62.52 110.814 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 55.24 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.6 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.951 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 65.01 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.679 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 60.01 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.864 0.364 . . . . 74.33 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -97.82 21.61 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 43.34 110.859 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.3 159.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.917 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 72.41 111.011 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HD1' HD23 ' A' ' 6' ' ' LEU . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 61.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 52.05 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 72.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.05 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD23 ' CA ' ' A' ' 31' ' ' TRP . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 43.2 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.52 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 55.24 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.963 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 65.01 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 63.11 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CA ' HD23 ' A' ' 20' ' ' LEU . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 60.01 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 74.33 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -97.73 21.5 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 43.34 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.37 164.44 21.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.41 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 61.3 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 52.05 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 72.22 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 62.05 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 43.2 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 26' ' ' LEU . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.844 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 55.24 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.945 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 65.01 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 63.11 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 60.01 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 74.33 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -107.67 21.42 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 43.34 110.924 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 160.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 72.21 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 72.41 110.906 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.3 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 52.05 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 72.22 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 43.2 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.89 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 55.24 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.611 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.885 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 60.01 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.896 0.379 . . . . 74.33 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -101.09 21.45 13.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 43.34 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.64 165.2 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 72.41 110.887 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 61.3 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 52.05 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 72.22 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 62.05 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 43.2 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.857 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 55.24 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.888 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 65.01 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 60.01 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.33 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -102.55 21.6 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 43.34 110.921 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.18 165.95 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.52 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HD1' HD23 ' A' ' 6' ' ' LEU . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 52.05 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 72.22 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 62.05 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 31' ' ' TRP . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 43.2 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 62.52 110.906 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 55.24 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 65.01 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 63.11 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.681 ' HA ' HD23 ' A' ' 20' ' ' LEU . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 60.01 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.905 0.383 . . . . 74.33 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -103.94 21.65 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 43.34 110.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.1 167.58 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 72.21 110.921 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 72.4 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.52 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 72.41 110.982 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 6' ' ' LEU . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 61.3 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 52.05 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 72.22 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.05 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 43.2 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.765 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.52 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 55.24 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.765 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.866 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 65.01 110.902 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 63.11 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.672 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.01 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.863 0.363 . . . . 74.33 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -97.55 21.55 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 43.34 110.86 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.82 167.7 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 64.52 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.3 110.872 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 52.05 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 72.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 62.05 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 43.2 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.802 ' HD3' HD13 ' A' ' 26' ' ' LEU . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.52 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 55.24 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 71.04 110.924 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 65.01 110.895 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 63.11 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.671 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 60.01 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.783 0.325 . . . . 74.33 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -103.88 21.61 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 43.34 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.7 167.06 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 72.21 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.4 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.869 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 61.3 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 52.05 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 72.22 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 62.05 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 43.2 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 62.52 110.892 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.759 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 65.01 110.916 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 60.01 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.2 21.57 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 43.34 110.889 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.47 162.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.854 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 61.3 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 52.05 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 72.22 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.05 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 43.2 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.52 110.852 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.04 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 65.01 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 60.01 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 74.33 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -101.18 21.61 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 43.34 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -50.57 160.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 72.21 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 52.05 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.22 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 62.05 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 31' ' ' TRP . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 43.2 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HD3' HD23 ' A' ' 26' ' ' LEU . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 62.52 110.933 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 55.24 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 65.01 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.65 ' CA ' HD23 ' A' ' 20' ' ' LEU . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 60.01 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 74.33 110.772 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -102.94 21.7 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 43.34 110.93 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.93 167.21 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 72.21 110.836 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 72.41 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 6' ' ' LEU . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 61.3 110.88 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 52.05 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 72.22 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.05 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 43.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.52 110.846 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 55.24 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 65.01 110.899 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 63.11 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 60.01 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 74.33 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.12 21.55 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 43.34 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.74 167.35 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.858 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 72.41 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 52.05 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 72.22 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 62.05 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 43.2 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.815 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.889 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.815 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 71.04 110.924 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 65.01 110.906 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 63.11 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 60.01 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.33 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.77 21.6 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 43.34 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.54 160.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 72.21 110.826 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.928 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' HD23 ' A' ' 6' ' ' LEU . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 61.3 110.878 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 52.05 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 72.22 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.05 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 31' ' ' TRP . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 43.2 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HD23 ' A' ' 26' ' ' LEU . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 62.52 110.836 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.699 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.871 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.01 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 63.11 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.651 ' CA ' HD23 ' A' ' 20' ' ' LEU . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 60.01 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.875 0.369 . . . . 74.33 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -109.58 21.64 16.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 43.34 110.833 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.76 168.82 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 64.52 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD23 ' HD1' ' A' ' 7' ' ' PHE . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.99 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HD1' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.82 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 52.05 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 72.22 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 43.2 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.788 ' HD3' HD13 ' A' ' 26' ' ' LEU . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 62.52 110.893 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 55.24 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 71.04 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 65.01 110.922 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 63.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 20' ' ' LEU . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 60.01 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.806 0.336 . . . . 74.33 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -101.54 21.59 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 43.34 110.952 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p -125.16 164.06 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 72.21 110.871 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.4 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 64.52 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.3 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 52.05 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 72.22 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 62.05 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' HD12 ' A' ' 20' ' ' LEU . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 29' ' ' CYS . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 43.2 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 55.24 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.944 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.6 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.87 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.48 ' HE3' HD21 ' A' ' 20' ' ' LEU . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 60.01 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.878 0.371 . . . . 74.33 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.69 21.48 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 43.34 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -126.31 166.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 72.21 110.899 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.938 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 52.05 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 72.22 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 43.2 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.798 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 62.52 110.864 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 55.24 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.798 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.638 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 65.01 110.936 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 63.11 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 60.01 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.87 0.367 . . . . 74.33 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.23 21.66 17.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.088 -0.506 . . . . 43.34 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -50.56 161.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 72.21 110.838 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 64.52 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 7' ' ' PHE . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HD23 ' A' ' 6' ' ' LEU . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 61.3 110.89 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 52.05 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 72.22 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 62.05 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 43.2 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' HD3' HD13 ' A' ' 26' ' ' LEU . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 55.24 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.04 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 65.01 111.002 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.604 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.813 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.337 . . . . 72.21 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 72.41 110.932 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' HD1' HD23 ' A' ' 6' ' ' LEU . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 52.05 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 72.22 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 62.05 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 43.2 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.52 110.842 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 55.24 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 71.04 110.912 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.01 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 63.11 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.632 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 60.01 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 72.21 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 52.05 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 72.22 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 62.05 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 43.2 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.594 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 62.52 110.907 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 55.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 71.04 110.896 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.01 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 63.11 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.664 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 60.01 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.76 0.314 . . . . 72.21 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 72.4 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.52 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 72.41 110.929 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 52.05 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 72.22 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 43.2 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 62.52 110.814 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 55.24 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.6 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.951 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 65.01 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.679 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 60.01 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.829 0.347 . . . . 72.21 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 72.41 111.011 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HD1' HD23 ' A' ' 6' ' ' LEU . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 61.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 52.05 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 72.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.05 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD23 ' CA ' ' A' ' 31' ' ' TRP . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 43.2 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.52 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 55.24 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.963 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 65.01 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 63.11 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CA ' HD23 ' A' ' 20' ' ' LEU . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 60.01 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.832 0.349 . . . . 72.21 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.41 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 61.3 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 52.05 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 72.22 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 62.05 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 43.2 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 26' ' ' LEU . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.844 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 55.24 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.945 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 65.01 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 63.11 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 60.01 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.735 0.302 . . . . 72.21 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 72.41 110.906 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.3 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 52.05 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 72.22 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 43.2 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.611 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.89 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 55.24 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.611 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.885 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 60.01 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.87 0.367 . . . . 72.21 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 72.41 110.887 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 61.3 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 52.05 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 72.22 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 62.05 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 43.2 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.857 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 55.24 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.888 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 65.01 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 60.01 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 72.21 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.52 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HD1' HD23 ' A' ' 6' ' ' LEU . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 52.05 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 72.22 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 62.05 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 31' ' ' TRP . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 43.2 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 62.52 110.906 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 55.24 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 65.01 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 63.11 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.681 ' HA ' HD23 ' A' ' 20' ' ' LEU . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 60.01 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.746 0.308 . . . . 72.21 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 72.4 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.52 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 72.41 110.982 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 6' ' ' LEU . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 61.3 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 52.05 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 72.22 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.05 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 43.2 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.765 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.52 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 55.24 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.765 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.866 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 65.01 110.902 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 63.11 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.672 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.01 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.797 0.332 . . . . 72.21 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 64.52 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.3 110.872 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 52.05 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 72.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 62.05 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.671 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 43.2 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.802 ' HD3' HD13 ' A' ' 26' ' ' LEU . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.52 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 55.24 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 71.04 110.924 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 65.01 110.895 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 63.11 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.671 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 60.01 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.812 0.339 . . . . 72.21 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.4 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.869 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 61.3 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 52.05 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 72.22 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 62.05 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 43.2 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 62.52 110.892 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.759 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 65.01 110.916 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 60.01 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.857 0.361 . . . . 72.21 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 61.3 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 52.05 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 72.22 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.05 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 43.2 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.52 110.852 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.04 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 65.01 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 60.01 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.806 0.336 . . . . 72.21 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 52.05 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.22 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 62.05 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 31' ' ' TRP . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 43.2 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HD3' HD23 ' A' ' 26' ' ' LEU . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 62.52 110.933 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 55.24 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 65.01 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.65 ' CA ' HD23 ' A' ' 20' ' ' LEU . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 60.01 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.824 0.345 . . . . 72.21 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 72.41 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 6' ' ' LEU . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 61.3 110.88 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 52.05 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 72.22 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.05 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 43.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.52 110.846 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 55.24 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 65.01 110.899 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 63.11 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 60.01 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 72.21 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 72.41 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 52.05 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 72.22 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 62.05 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 43.2 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.815 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.889 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.815 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 71.04 110.924 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 65.01 110.906 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 63.11 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.658 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 60.01 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.911 0.386 . . . . 72.21 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.928 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' HD23 ' A' ' 6' ' ' LEU . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 61.3 110.878 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 52.05 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 72.22 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.05 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 31' ' ' TRP . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 43.2 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HD23 ' A' ' 26' ' ' LEU . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 62.52 110.836 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.699 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.871 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.01 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 63.11 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.651 ' CA ' HD23 ' A' ' 20' ' ' LEU . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 60.01 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 72.21 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 64.52 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD23 ' HD1' ' A' ' 7' ' ' PHE . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.99 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HD1' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.82 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 52.05 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 72.22 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 43.2 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.788 ' HD3' HD13 ' A' ' 26' ' ' LEU . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 62.52 110.893 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 55.24 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 71.04 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 65.01 110.922 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 63.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 20' ' ' LEU . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 60.01 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.773 0.321 . . . . 72.21 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.4 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 64.52 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.3 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 52.05 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 72.22 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 62.05 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' HD12 ' A' ' 20' ' ' LEU . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 29' ' ' CYS . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 43.2 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 55.24 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.944 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.6 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.87 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.48 ' HE3' HD21 ' A' ' 20' ' ' LEU . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 60.01 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 72.21 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.938 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 52.05 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 72.22 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 43.2 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.798 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 62.52 110.864 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 55.24 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.798 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.638 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 65.01 110.936 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 63.11 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 60.01 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.778 0.323 . . . . 72.21 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 64.52 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 7' ' ' PHE . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HD23 ' A' ' 6' ' ' LEU . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 61.3 110.89 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 52.05 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 72.22 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 62.05 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 43.2 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.809 ' HD3' HD13 ' A' ' 26' ' ' LEU . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 55.24 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.04 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 65.01 111.002 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.604 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.813 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 74.33 110.84 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.8 21.56 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 43.34 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.94 162.96 24.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 72.21 110.859 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -79.81 128.43 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 72.4 110.871 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.2 170.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.864 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.5 tp -43.23 136.79 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 72.41 110.932 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' HD1' HD23 ' A' ' 6' ' ' LEU . 58.0 m-85 59.81 42.58 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 61.3 110.923 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 3.83 85.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.801 -0.714 . . . . 71.54 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.45 50.97 52.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 52.05 112.481 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.8 p -84.82 178.42 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 72.22 110.866 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -130.49 -37.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 62.05 110.926 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 p -133.15 162.7 31.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.143 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 m -57.38 -34.17 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.156 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 -25.85 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.147 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -66.74 -28.44 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.874 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.3 m -112.48 172.93 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.93 172.21 8.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.897 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -51.38 -43.84 61.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -52.88 -31.56 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 60.12 110.877 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.9 mt -104.72 169.04 8.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.918 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.18 86.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.717 -0.754 . . . . 63.11 112.494 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 t -50.31 117.13 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 43.2 110.858 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.01 144.87 28.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.52 110.842 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -82.83 -23.51 33.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.32 111.159 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -95.03 -37.93 10.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 55.24 110.931 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.31 -34.4 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 71.04 110.912 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.06 55.73 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.96 145.32 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 65.01 110.9 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.7 m -67.4 115.75 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 63.11 110.844 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.16 101.93 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.35 111.085 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.632 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.6 t-105 -66.25 110.43 3.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.928 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -148.17 -55.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.23 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.89 -23.16 30.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 71.11 112.514 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -129.99 118.61 21.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.353 . . . . 75.33 111.16 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 60.01 110.857 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.876 0.37 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -99.39 21.59 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 43.34 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.54 165.33 19.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.869 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -81.11 137.67 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.805 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.11 170.96 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.93 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.2 tp -42.75 133.05 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 72.41 110.905 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.86 50.94 6.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 61.3 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.08 -1.22 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 71.54 112.536 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.03 50.55 17.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 52.05 112.45 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.05 177.63 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.359 . . . . 72.22 110.911 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -128.32 -35.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 62.05 110.905 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -135.71 164.25 28.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 74.44 111.144 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.79 -33.48 70.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.121 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.84 68.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.083 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -66.73 -28.61 68.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.887 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.28 173.06 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.973 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -93.69 172.53 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -51.11 -42.68 60.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -53.2 -31.75 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.898 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.1 mt -106.43 169.09 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.53 110.895 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.61 87.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 63.11 112.468 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.5 t -49.77 117.18 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 43.2 110.837 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.594 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.7 mtp180 -83.51 145.5 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 62.52 110.907 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.9 p -82.86 -23.67 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.32 111.127 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -94.98 -37.55 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 55.24 110.868 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.66 -34.79 16.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.458 . . . . 71.04 110.896 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.03 55.64 1.93 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.68 145.65 17.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.01 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.3 m -68.39 115.73 8.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 63.11 110.927 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.27 101.84 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.113 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.664 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.19 109.72 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.899 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -146.12 -55.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.32 -23.12 36.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.793 -0.717 . . . . 71.11 112.477 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 p -127.38 144.49 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.338 . . . . 75.33 111.161 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 60.01 110.915 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 74.33 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -102.52 21.63 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 43.34 110.858 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.54 165.05 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -80.86 138.13 36.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.438 . . . . 72.4 110.89 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.46 171.04 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 64.52 110.958 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.79 132.92 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 72.41 110.929 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 59.84 51.17 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 61.3 110.845 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.28 -1.1 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.54 112.466 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.16 50.38 17.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 52.05 112.547 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.25 178.4 7.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 72.22 110.802 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -129.78 -37.0 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.917 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -133.88 163.3 29.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 m -58.27 -33.4 69.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 74.33 111.151 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -25.88 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.14 111.067 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.64 -28.53 68.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.64 173.07 6.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -93.77 172.72 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -51.14 -43.02 61.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.903 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -53.03 -31.82 43.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 60.12 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.3 mt -106.2 169.1 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.901 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 87.05 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.798 -0.715 . . . . 63.11 112.51 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.92 117.16 2.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 43.2 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' NE ' HD23 ' A' ' 26' ' ' LEU . 11.2 mtp180 -83.6 145.41 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 62.52 110.814 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.3 p -82.92 -23.63 33.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.21 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -95.05 -37.5 11.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 55.24 110.844 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.6 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.67 -34.89 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.04 110.951 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.97 55.68 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.892 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.54 145.4 17.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 65.01 110.942 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.25 115.8 8.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 63.11 110.807 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.32 101.77 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 72.35 111.122 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.679 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.6 t-105 -65.35 109.79 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -145.62 -56.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.845 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.59 -23.08 32.08 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.784 -0.722 . . . . 71.11 112.441 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p -122.75 135.63 54.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 75.33 111.151 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 60.01 110.948 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.864 0.364 . . . . 74.33 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -97.82 21.61 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 43.34 110.859 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.3 159.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.917 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -77.78 129.83 35.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.869 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.24 170.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.9 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' HD1' ' A' ' 7' ' ' PHE . 2.1 tp -42.57 136.15 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 72.41 111.011 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HD1' HD23 ' A' ' 6' ' ' LEU . 60.4 m-85 59.85 43.98 14.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 61.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.55 7.72 78.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.42 51.25 57.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 52.05 112.487 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.57 178.75 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 72.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -131.66 -38.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 62.05 110.957 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 p -133.87 158.93 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.129 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -53.59 -34.23 57.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.117 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -26.66 68.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.079 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.7 -28.37 68.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.8 m -112.53 173.26 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.4 p -93.99 171.85 8.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.866 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -51.07 -43.76 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.893 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -52.87 -31.41 39.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 60.12 110.851 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD23 ' CA ' ' A' ' 31' ' ' TRP . 5.4 mt -104.48 169.42 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 64.53 110.895 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.8 85.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.751 -0.737 . . . . 63.11 112.499 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.2 t -50.4 117.19 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 43.2 110.865 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 13.9 mtp180 -84.29 144.71 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 62.52 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.8 p -82.79 -23.58 33.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.174 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.01 -37.96 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 55.24 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -89.29 -34.34 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.963 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.05 55.97 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -158.86 143.09 15.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.097 -0.501 . . . . 65.01 110.976 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 78.5 m -63.8 115.74 5.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 63.11 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.0 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.125 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CA ' HD23 ' A' ' 20' ' ' LEU . 17.2 t-105 -66.23 111.61 3.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.01 110.892 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -151.94 -52.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.876 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.09 31.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.772 -0.728 . . . . 71.11 112.439 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -137.32 119.3 15.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.33 111.066 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.2 p90 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 60.01 110.796 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 74.33 110.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -97.73 21.5 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 43.34 110.841 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.5 p -126.37 164.44 21.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.911 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -79.93 136.87 36.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.904 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.19 170.92 5.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.922 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.75 132.61 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.41 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 59.93 51.28 6.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 61.3 110.907 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.56 0.0 76.66 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.464 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.4 50.47 21.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.808 -0.71 . . . . 52.05 112.489 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.13 178.82 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 72.22 110.904 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -130.55 -37.55 1.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.196 -0.456 . . . . 62.05 110.897 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.9 p -133.05 163.02 30.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.167 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -58.02 -33.61 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.135 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -25.83 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.136 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -66.57 -28.67 68.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.6 172.98 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.877 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.33 173.08 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.34 110.931 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -51.69 -43.64 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.31 110.888 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -52.87 -31.65 40.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 60.12 110.847 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.1 mt -105.64 168.99 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.53 110.94 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.43 87.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.779 -0.724 . . . . 63.11 112.478 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.97 117.18 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 43.2 110.887 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 26' ' ' LEU . 17.9 mtp85 -83.49 144.97 29.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.844 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -82.93 -23.56 33.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.063 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -95.01 -37.98 10.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 55.24 110.888 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -89.28 -34.49 16.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.945 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.08 55.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.912 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -158.71 145.94 17.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 65.01 110.895 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.45 115.73 8.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 63.11 110.814 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.73 102.31 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 72.35 111.077 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.4 t-105 -66.53 109.86 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.861 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -145.93 -55.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 75.23 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.83 23.26 46.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.824 -0.703 . . . . 71.11 112.461 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -131.76 113.11 13.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 75.33 111.165 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 60.01 110.889 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 74.33 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -107.67 21.42 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 43.34 110.924 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 p -50.31 160.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 72.21 110.916 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -77.49 130.75 37.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.4 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.18 170.93 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.52 110.892 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.4 tp -42.97 135.19 3.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 72.41 110.906 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 60.0 45.63 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 61.3 110.892 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.48 5.82 84.4 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 71.54 112.474 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.6 51.12 54.79 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.694 -0.765 . . . . 52.05 112.548 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.6 178.19 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 72.22 110.898 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -130.07 -37.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 62.05 110.902 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.0 p -133.8 162.6 31.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.164 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 m -57.27 -34.23 68.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.102 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.88 68.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 74.14 111.118 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -66.57 -28.45 68.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.2 m -112.47 173.23 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.881 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.45 171.97 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.917 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -51.07 -43.73 61.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -52.94 -31.38 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 60.12 110.893 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.0 mt -104.98 169.23 8.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 64.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.35 86.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 63.11 112.472 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -50.17 117.18 2.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 43.2 110.811 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' NE ' HD23 ' A' ' 26' ' ' LEU . 14.3 mtp180 -84.26 144.95 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 62.52 110.89 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 p -82.81 -23.6 33.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.099 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.99 -38.43 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 55.24 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.611 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.7 -34.29 17.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.885 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.11 55.76 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.14 144.92 16.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.94 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.11 115.76 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 63.11 110.88 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.59 101.18 12.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.35 111.079 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.625 ' HA ' HD23 ' A' ' 20' ' ' LEU . 17.1 t-105 -65.95 110.74 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.01 110.933 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -151.06 -54.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.27 -23.12 31.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 71.11 112.492 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 p -129.33 113.38 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 75.33 111.191 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 60.01 110.862 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.896 0.379 . . . . 74.33 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -101.09 21.45 13.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 43.34 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 p -126.64 165.2 19.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -80.84 136.93 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.86 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -66.39 170.88 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 64.52 110.874 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.7 tp -42.79 132.74 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 72.41 110.887 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 60.01 50.94 6.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 61.3 110.919 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.11 -0.57 77.21 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.54 112.493 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.67 50.42 19.87 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.658 -0.782 . . . . 52.05 112.5 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 p -85.18 178.98 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 72.22 110.929 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -130.3 -37.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 62.05 110.9 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -133.57 163.41 29.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.198 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 m -58.35 -33.5 69.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 74.33 111.152 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.038 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -66.64 -28.69 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 75.32 110.883 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.7 m -112.44 173.05 6.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.884 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.2 172.78 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.841 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -51.32 -43.6 61.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.909 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -52.87 -31.69 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.819 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.2 mt -105.65 169.09 8.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.898 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.92 87.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.73 . . . . 63.11 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.6 t -49.79 117.3 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 43.2 110.871 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.569 ' HD3' HD23 ' A' ' 26' ' ' LEU . 18.3 mtp85 -83.49 145.34 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.857 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 p -82.96 -23.69 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 74.32 111.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -95.04 -38.35 10.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 55.24 110.898 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 HD23 ' HD3' ' A' ' 23' ' ' ARG . 4.2 mm? -88.63 -34.58 17.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.888 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.98 55.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -158.67 146.35 17.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 65.01 110.901 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.5 m -68.95 115.76 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.882 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.83 101.82 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 72.35 111.107 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.8 t-105 -65.91 109.8 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -145.14 -55.85 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 75.23 110.943 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.67 -23.06 37.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 71.11 112.548 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.0 p -133.26 135.3 44.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 75.33 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 60.01 110.883 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.33 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -102.55 21.6 15.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 43.34 110.921 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.18 165.95 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -81.96 131.65 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.4 110.914 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.91 170.74 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 64.52 110.894 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.6 tp -43.43 136.09 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.41 110.891 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' HD1' HD23 ' A' ' 6' ' ' LEU . 54.5 m-85 59.68 44.73 13.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.3 110.885 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.5 88.25 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.75 -0.738 . . . . 71.54 112.49 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.24 50.73 31.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 52.05 112.478 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -85.08 178.14 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 72.22 110.805 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -129.99 -37.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 62.05 110.914 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.1 p -133.37 163.59 28.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 74.44 111.139 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -58.41 -33.9 70.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.136 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -66.59 -28.58 68.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.26 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.86 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -93.08 172.97 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -51.67 -42.92 62.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.916 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -52.96 -31.77 42.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 60.12 110.844 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 31' ' ' TRP . 2.8 mt -106.75 168.92 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 64.53 110.88 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.6 87.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.467 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -49.99 117.18 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 43.2 110.864 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.612 ' HD3' HD23 ' A' ' 26' ' ' LEU . 20.1 mtp180 -88.55 145.08 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 62.52 110.906 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.9 t -82.86 -21.24 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.32 111.163 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -93.2 -35.29 13.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 55.24 110.889 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.74 -34.09 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.73 55.75 2.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.266 -0.424 . . . . 73.34 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.18 145.89 13.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 65.01 110.922 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.2 m -67.61 115.75 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 63.11 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.93 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.35 111.188 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.681 ' HA ' HD23 ' A' ' 20' ' ' LEU . 15.3 t-105 -65.56 109.43 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -145.94 -55.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.9 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -23.14 37.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.498 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.9 p -131.72 131.9 43.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 75.33 111.158 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 60.01 110.913 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.905 0.383 . . . . 74.33 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -103.94 21.65 15.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 43.34 110.959 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.1 167.58 15.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 72.21 110.921 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 -83.71 132.02 34.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 72.4 110.802 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.59 170.81 2.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 64.52 110.832 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.3 tp -43.52 136.0 3.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.511 . . . . 72.41 110.982 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD1' HD23 ' A' ' 6' ' ' LEU . 75.2 m-85 59.94 44.69 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 61.3 110.881 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.41 -0.45 88.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 71.54 112.546 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.01 50.49 28.57 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 52.05 112.525 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.04 179.03 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 72.22 110.909 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -129.71 -36.89 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.05 110.877 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 p -134.45 164.21 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 74.44 111.1 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 m -58.85 -34.0 71.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.188 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.31 67.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.14 111.133 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.69 -28.56 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.15 173.05 6.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.982 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.48 172.46 8.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.96 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -51.2 -43.01 61.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.963 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -53.19 -31.61 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.875 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.92 169.14 8.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 64.53 110.843 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.27 86.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.11 112.449 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.14 117.14 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 43.2 110.886 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.765 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.6 mtp180 -88.78 143.86 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 62.52 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.2 p -82.63 -18.5 40.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.32 111.131 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.75 -39.11 10.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 55.24 110.898 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.765 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -92.73 -32.06 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.866 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.05 55.9 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.61 148.22 15.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 65.01 110.902 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 81.1 m -68.81 115.67 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 63.11 110.864 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.64 101.17 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.103 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.672 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.63 110.61 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.845 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -149.24 -55.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.913 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.94 -23.09 30.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 71.11 112.478 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -123.05 143.0 50.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 75.33 111.144 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 60.01 110.861 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.863 0.363 . . . . 74.33 110.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -97.55 21.55 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.515 . . . . 43.34 110.86 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.82 167.7 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -83.72 130.78 34.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.4 110.855 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.36 170.78 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 64.52 110.927 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.0 tp -43.75 136.17 3.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 72.41 110.912 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.8 m-85 60.02 44.06 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.3 110.872 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 -0.17 89.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.818 -0.706 . . . . 71.54 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.48 50.72 30.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.794 -0.717 . . . . 52.05 112.482 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -85.01 179.05 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 72.22 110.886 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -129.69 -36.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 62.05 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.1 p -134.58 164.35 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 74.44 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -58.91 -34.11 71.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.476 . . . . 74.33 111.14 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.34 67.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.081 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.63 -28.55 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.874 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.11 173.16 6.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.914 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.55 172.48 8.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -51.24 -43.23 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.958 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -53.05 -31.72 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 60.12 110.839 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.671 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.9 mt -105.74 169.1 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.839 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.28 86.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.792 -0.718 . . . . 63.11 112.486 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.32 117.09 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 43.2 110.908 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.802 ' HD3' HD13 ' A' ' 26' ' ' LEU . 21.2 mtp180 -89.07 143.88 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 62.52 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 p -82.68 -18.14 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.76 -39.35 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 55.24 110.824 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.74 -31.85 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 71.04 110.924 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.98 55.96 1.9 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.71 148.38 15.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 65.01 110.895 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.7 115.6 8.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 63.11 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.32 101.13 12.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.671 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.3 t-105 -65.71 110.11 2.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 75.01 110.902 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -148.97 -55.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.91 -23.07 36.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.812 -0.709 . . . . 71.11 112.5 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -126.13 155.16 42.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.757 0.313 . . . . 75.33 111.137 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 60.01 110.876 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.783 0.325 . . . . 74.33 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -103.88 21.61 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 43.34 110.967 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.7 167.06 15.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 72.21 110.935 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -83.04 131.41 35.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 72.4 110.819 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -61.95 170.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 64.52 110.993 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.5 tp -43.59 136.22 3.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.869 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 59.74 44.47 14.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 61.3 110.868 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.16 -0.41 88.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.789 -0.719 . . . . 71.54 112.431 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.57 28.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 52.05 112.441 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.06 179.06 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 72.22 110.915 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -129.89 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 62.05 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 p -134.06 164.1 28.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 74.44 111.133 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m -58.79 -33.84 70.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.33 111.149 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.23 68.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 74.14 111.042 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -66.66 -28.59 68.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.91 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.21 173.1 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.44 110.82 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.57 172.65 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -51.37 -43.26 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.865 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -53.01 -31.77 42.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 60.12 110.828 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.7 169.14 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.53 110.959 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.24 86.81 0.18 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 63.11 112.49 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.3 t -50.23 117.1 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 43.2 110.822 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.759 ' HD3' HD13 ' A' ' 26' ' ' LEU . 25.0 mtp180 -88.69 143.94 26.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 62.52 110.892 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.6 p -82.63 -18.7 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.121 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.77 -38.81 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 55.24 110.893 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.759 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.96 -32.12 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.943 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.99 55.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.969 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.615 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.39 148.62 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 65.01 110.916 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 75.3 m -69.54 115.75 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.71 101.25 12.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.35 111.123 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.6 t-105 -65.76 109.4 2.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 75.01 110.925 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -146.88 -55.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.13 -23.18 34.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 71.11 112.442 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 p -130.05 117.89 20.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 75.33 111.152 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 60.01 110.891 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.754 0.311 . . . . 74.33 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.2 21.57 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 43.34 110.889 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.47 162.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.854 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -78.16 137.37 38.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.911 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -66.65 170.98 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.976 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.9 tp -42.61 132.19 3.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.952 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 59.89 51.95 5.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 61.3 110.957 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.56 1.29 75.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.421 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.48 50.76 24.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 52.05 112.547 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.06 178.23 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 72.22 110.91 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -130.07 -37.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.05 110.87 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 163.2 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 74.44 111.19 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -58.06 -33.77 69.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.144 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 -25.69 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.122 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -66.72 -28.59 68.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.834 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.0 m -112.28 173.23 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.914 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.2 p -93.48 172.52 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -51.35 -43.49 61.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.911 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -53.01 -31.4 40.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 60.12 110.859 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 31' ' ' TRP . 4.0 mt -105.98 169.12 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.5 86.95 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.506 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.56 117.24 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 43.2 110.85 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' NE ' HD23 ' A' ' 26' ' ' LEU . 12.5 mtp180 -83.63 145.0 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 62.52 110.852 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 p -82.77 -23.71 33.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.147 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -94.98 -38.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.926 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.599 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.1 mm? -88.82 -34.48 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.04 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.01 55.77 1.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.924 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.13 145.31 16.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.51 . . . . 65.01 110.995 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.22 115.83 7.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.913 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 101.86 13.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 72.35 111.08 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' HA ' HD23 ' A' ' 20' ' ' LEU . 16.7 t-105 -66.28 110.08 2.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.01 110.952 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -147.43 -54.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.39 -23.06 36.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.721 . . . . 71.11 112.451 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.7 p -130.19 155.52 46.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 75.33 111.119 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 60.01 110.907 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.767 0.318 . . . . 74.33 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -101.18 21.61 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 43.34 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 p -50.57 160.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 72.21 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -78.29 130.87 36.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.848 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -61.34 170.98 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.52 110.944 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.69 135.42 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.912 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 59.93 45.52 12.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.853 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.76 5.54 84.79 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 71.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 64.62 51.38 52.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 52.05 112.461 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.9 p -84.62 176.98 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.22 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -129.63 -37.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 62.05 110.927 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.6 p -133.37 163.0 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.44 111.171 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -57.49 -34.28 68.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 74.33 111.097 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.05 68.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -66.72 -28.49 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.32 110.841 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 5.3 m -112.38 172.96 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.804 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.7 p -94.34 172.17 8.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.808 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -51.2 -41.98 60.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -53.05 -31.91 44.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 60.12 110.895 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 31' ' ' TRP . 1.7 mt -108.11 169.11 8.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 64.53 110.911 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.15 87.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 63.11 112.478 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 t -49.71 117.13 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 43.2 110.856 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.605 ' HD3' HD23 ' A' ' 26' ' ' LEU . 19.1 mtp180 -88.95 145.15 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 62.52 110.933 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.93 -21.31 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 74.32 111.127 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.17 -35.44 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 55.24 110.832 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.6 mm? -94.45 -34.43 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.79 55.8 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.23 145.86 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 65.01 110.895 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.4 m -67.59 115.75 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.11 110.942 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.84 101.5 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 72.35 111.115 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.65 ' CA ' HD23 ' A' ' 20' ' ' LEU . 16.5 t-105 -64.24 110.01 2.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.869 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -148.65 -55.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.903 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.84 -23.22 29.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 71.11 112.523 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.5 p -120.59 120.59 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 75.33 111.127 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 60.01 110.869 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.8 0.333 . . . . 74.33 110.772 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -102.94 21.7 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 43.34 110.93 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -125.93 167.21 15.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 72.21 110.836 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.4 mtp85 -83.44 132.14 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.869 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.79 170.79 2.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.4 tp -43.57 136.01 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 72.41 110.908 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD23 ' A' ' 6' ' ' LEU . 77.4 m-85 60.03 44.84 12.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 61.3 110.88 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.8 -0.43 87.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 71.54 112.541 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.07 50.49 28.23 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.784 -0.722 . . . . 52.05 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.11 178.32 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.967 0.413 . . . . 72.22 110.853 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -129.33 -36.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 62.05 110.859 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 p -134.69 164.37 27.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.278 -0.419 . . . . 74.44 111.063 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -59.12 -33.84 71.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.098 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -25.41 67.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -66.72 -28.48 68.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.872 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.23 173.06 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.75 172.78 8.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 72.34 110.888 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -51.42 -42.89 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.879 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -53.13 -31.74 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 60.12 110.871 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.5 mt -105.96 169.09 8.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 64.53 110.893 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 63.11 112.495 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.45 117.07 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 43.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.6 mtp180 -90.81 144.35 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 62.52 110.846 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -82.8 -17.79 42.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.32 111.133 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -92.2 -39.88 11.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 55.24 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -93.45 -31.83 14.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.04 110.89 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 56.01 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 73.34 110.868 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.41 147.92 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.507 . . . . 65.01 110.899 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.7 115.74 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 63.11 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.77 101.15 12.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 72.35 111.06 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 111.34 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 75.01 110.835 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -150.51 -55.81 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.841 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.01 -23.17 30.53 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.712 -0.756 . . . . 71.11 112.443 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -117.58 145.87 44.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 75.33 111.147 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 60.01 110.831 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.82 0.343 . . . . 74.33 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -110.12 21.55 16.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 43.34 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -125.74 167.35 15.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.858 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -83.62 131.35 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.852 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.08 170.78 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.937 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 7' ' ' PHE . 3.8 tp -43.65 136.13 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 72.41 110.897 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CD1' HD23 ' A' ' 6' ' ' LEU . 74.3 m-85 60.09 44.32 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.53 88.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.54 112.478 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.54 28.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 52.05 112.512 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.08 178.62 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 72.22 110.854 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -129.7 -36.74 1.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 62.05 110.814 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.4 p -134.36 164.35 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.157 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -59.18 -33.93 71.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.123 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.18 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.152 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.66 -28.56 68.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.18 173.07 6.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.879 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.69 172.66 8.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.85 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -51.34 -42.97 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.933 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -53.09 -31.74 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 60.12 110.856 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.4 mt -105.98 169.07 8.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 64.53 110.931 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.19 86.46 0.18 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.754 -0.736 . . . . 63.11 112.517 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -50.28 117.02 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 43.2 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.815 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.9 mtp180 -91.1 144.33 25.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.889 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -82.84 -17.41 44.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 74.32 111.137 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -92.38 -39.61 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 55.24 110.828 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.815 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.0 mp -93.81 -31.59 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 71.04 110.924 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.01 56.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.634 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -161.64 147.96 14.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 65.01 110.906 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.4 m -67.52 115.74 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 63.11 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.63 101.12 12.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 72.35 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.46 110.93 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -150.69 -55.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 75.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.06 -23.15 30.73 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.736 -0.745 . . . . 71.11 112.457 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 p -115.36 121.25 42.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 75.33 111.161 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 60.01 110.862 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.852 0.358 . . . . 74.33 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.77 21.6 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 43.34 110.877 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 p -50.54 160.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 72.21 110.826 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -78.44 131.79 37.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 72.4 110.938 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.52 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 31' ' ' TRP . 2.2 tp -42.44 135.72 2.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.928 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HD1' HD23 ' A' ' 6' ' ' LEU . 57.5 m-85 59.77 45.54 12.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 61.3 110.878 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.68 4.67 85.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 71.54 112.451 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.38 51.01 52.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 52.05 112.479 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.2 p -84.7 176.35 8.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 72.22 110.89 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -128.73 -37.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.05 110.929 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.4 p -134.33 163.34 29.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.127 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 m -57.59 -34.4 69.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.136 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.73 -26.21 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.198 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -66.75 -28.41 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.893 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 4.9 m -112.35 172.94 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.834 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 p -94.07 172.2 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -51.21 -42.23 60.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.859 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -53.05 -31.91 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 60.12 110.846 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD23 ' CA ' ' A' ' 31' ' ' TRP . 2.0 mt -107.51 169.15 8.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.952 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.37 86.85 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 63.11 112.507 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.9 t -49.72 117.09 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 43.2 110.92 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.699 ' HD3' HD23 ' A' ' 26' ' ' LEU . 26.0 mtp85 -89.21 144.72 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 62.52 110.836 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -82.89 -20.5 35.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 74.32 111.18 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.14 -35.78 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 55.24 110.881 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.699 HD23 ' HD3' ' A' ' 23' ' ' ARG . 3.8 mm? -94.89 -33.83 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.871 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 62.88 55.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.943 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.33 145.52 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.01 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.8 m -66.5 115.76 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 63.11 110.933 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.77 101.17 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 72.35 111.122 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.651 ' CA ' HD23 ' A' ' 20' ' ' LEU . 15.6 t-105 -64.45 111.41 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 75.01 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -149.76 -56.17 0.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 75.23 110.901 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.71 -23.14 29.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 71.11 112.524 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.9 p -126.07 132.93 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 75.33 111.154 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 60.01 110.852 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.875 0.369 . . . . 74.33 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -109.58 21.64 16.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 43.34 110.833 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.76 168.82 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.901 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -84.72 133.39 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.68 170.9 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 64.52 110.896 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD23 ' HD1' ' A' ' 7' ' ' PHE . 1.8 tp -43.52 135.76 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.41 110.99 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HD1' HD23 ' A' ' 6' ' ' LEU . 62.6 m-85 59.76 45.63 12.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 61.3 110.82 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.83 -1.29 87.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 71.54 112.468 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.88 50.35 24.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 52.05 112.463 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -85.08 179.03 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 72.22 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -129.97 -36.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.925 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.95 164.02 28.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.186 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 m -58.8 -33.97 70.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 74.33 111.153 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -25.25 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 74.14 111.16 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -66.75 -28.6 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.848 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.26 173.1 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.896 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.59 172.86 8.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -51.49 -43.23 62.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.862 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -52.99 -31.73 42.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 60.12 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.7 mt -105.86 168.98 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.948 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.2 86.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 63.11 112.485 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.19 117.09 2.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 43.2 110.894 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.788 ' HD3' HD13 ' A' ' 26' ' ' LEU . 27.7 mtp180 -89.34 144.12 26.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 62.52 110.893 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.4 p -82.7 -18.33 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.32 111.096 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -93.04 -39.78 10.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 55.24 110.95 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.7 mp -92.52 -32.22 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 71.04 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.09 55.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.912 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -160.94 148.72 15.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 65.01 110.922 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.5 115.81 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 63.11 110.831 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.85 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.35 111.169 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.638 ' HA ' HD23 ' A' ' 20' ' ' LEU . 11.9 t-105 -68.72 106.86 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.983 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -141.36 -47.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 75.23 110.866 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -23.11 37.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 71.11 112.511 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 p -133.7 157.32 46.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.787 0.327 . . . . 75.33 111.181 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 60.01 110.87 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.806 0.336 . . . . 74.33 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -101.54 21.59 14.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 43.34 110.952 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 p -125.16 164.06 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 72.21 110.871 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -80.12 178.0 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 72.4 110.902 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -107.92 171.15 7.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 64.52 110.928 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 tp -40.83 129.78 2.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.938 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 61.09 45.62 8.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 61.3 110.885 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.92 -20.35 68.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.765 . . . . 71.54 112.459 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.61 49.51 3.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 52.05 112.518 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.0 p -90.05 179.73 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 72.22 110.894 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -124.68 -33.35 2.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 62.05 110.947 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -135.97 166.77 22.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.126 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -62.73 -33.32 74.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.123 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.52 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 74.14 111.101 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -66.79 -28.6 68.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.867 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 2.9 m -112.97 173.42 6.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.84 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.401 ' SG ' HD12 ' A' ' 20' ' ' LEU . 20.9 p -94.81 174.92 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -51.25 -41.66 60.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.904 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -53.13 -32.37 47.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 60.12 110.939 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 29' ' ' CYS . 1.1 mt -109.05 169.1 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 64.53 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.87 86.88 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.795 -0.717 . . . . 63.11 112.529 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 t -49.75 117.45 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 43.2 110.913 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.61 ' NE ' HD23 ' A' ' 26' ' ' LEU . 9.9 mtp180 -78.91 148.53 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 62.52 110.862 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 p -83.04 -24.52 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.204 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.26 -37.62 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 55.24 110.816 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.61 HD23 ' NE ' ' A' ' 23' ' ' ARG . 4.2 mm? -89.07 -34.6 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.944 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 62.7 55.7 2.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.931 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.78 147.49 21.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.6 ' HB3' HD22 ' A' ' 20' ' ' LEU . 79.7 m -67.62 115.49 7.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 63.11 110.87 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.47 102.22 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.35 111.154 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.48 ' HE3' HD21 ' A' ' 20' ' ' LEU . 20.5 t-105 -65.82 111.06 3.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.25 -0.432 . . . . 75.01 110.95 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -148.8 -50.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.838 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.49 -23.16 31.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 71.11 112.412 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.6 p -128.11 136.69 51.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 75.33 111.203 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 60.01 110.842 -179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.878 0.371 . . . . 74.33 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -108.69 21.48 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 43.34 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -126.31 166.79 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 72.21 110.899 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -82.99 137.68 34.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.875 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -67.57 171.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 64.52 110.896 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 31' ' ' TRP . 3.8 tp -42.88 133.21 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.41 110.938 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 60.49 50.27 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.915 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.06 -2.32 74.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 71.54 112.441 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.02 50.27 13.52 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 52.05 112.466 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -85.31 177.24 7.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 72.22 110.849 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -128.32 -35.88 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 62.05 110.996 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.8 p -135.37 164.59 27.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.131 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 m -59.23 -33.43 71.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.18 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.35 -25.78 68.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 74.14 111.058 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -66.71 -28.58 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.8 m -112.16 173.03 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.871 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.44 172.94 7.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -51.18 -42.71 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 73.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -53.08 -31.68 43.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 60.12 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 31' ' ' TRP . 3.0 mt -106.8 169.13 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.902 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.14 86.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 63.11 112.517 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -50.01 116.96 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 43.2 110.832 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.798 ' HD3' HD13 ' A' ' 26' ' ' LEU . 28.8 mtp180 -90.46 144.57 25.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 62.52 110.864 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -82.69 -17.96 42.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.32 111.134 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -92.1 -40.17 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 55.24 110.873 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.798 HD13 ' HD3' ' A' ' 23' ' ' ARG . 4.9 mp -92.89 -32.49 14.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 71.04 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 63.27 55.89 1.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.908 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.638 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -161.47 147.35 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 65.01 110.936 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.29 115.79 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 63.11 110.874 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.63 101.63 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.35 111.038 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.66 ' HA ' HD23 ' A' ' 20' ' ' LEU . 13.9 t-105 -65.55 110.82 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.01 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.43 -55.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.887 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 -23.12 34.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.705 -0.76 . . . . 71.11 112.433 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.2 p -124.64 141.34 52.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.764 0.316 . . . . 75.33 111.129 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 60.01 110.88 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.87 0.367 . . . . 74.33 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.23 21.66 17.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.088 -0.506 . . . . 43.34 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -50.56 161.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 72.21 110.838 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -77.86 131.51 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.895 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -62.73 170.99 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 64.52 110.929 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 7' ' ' PHE . 2.8 tp -42.96 135.19 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.86 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' HD23 ' A' ' 6' ' ' LEU . 71.4 m-85 60.13 45.79 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 61.3 110.89 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -87.62 3.02 86.41 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.468 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.28 50.85 41.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 52.05 112.531 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.82 177.12 8.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 72.22 110.939 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -128.13 -36.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 62.05 110.951 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -135.74 164.47 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 111.2 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m -58.86 -34.31 71.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.1 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.74 67.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 74.14 111.128 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -66.74 -28.31 68.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.879 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 20' ' ' LEU . 3.9 m -112.26 173.29 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.932 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.9 p -92.73 172.56 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.88 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -51.36 -43.66 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.974 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -53.01 -31.46 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.866 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 31' ' ' TRP . 5.6 mt -104.29 169.25 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.416 . . . . 64.53 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.52 85.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 63.11 112.465 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.4 t -50.77 117.01 2.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 43.2 110.845 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.809 ' HD3' HD13 ' A' ' 26' ' ' LEU . 22.8 mtp180 -89.59 143.77 26.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.52 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -82.61 -17.46 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.32 111.052 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -93.51 -40.6 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 55.24 110.945 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD13 ' HD3' ' A' ' 23' ' ' ARG . 5.1 mp -92.0 -31.63 15.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.04 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 63.18 55.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 73.34 110.943 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.625 ' CE1' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -160.94 146.02 14.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 65.01 111.002 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 82.6 m -64.99 115.81 5.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.935 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.71 101.02 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.105 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.604 ' HA ' HD23 ' A' ' 20' ' ' LEU . 14.4 t-105 -67.72 109.48 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.906 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -148.92 -55.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.898 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.83 -23.23 29.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 71.11 112.441 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.9 p -98.46 120.62 39.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 75.33 111.193 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 60.01 110.813 -179.905 . . . . . . . . 0 0 . 1 stop_ save_