data_2nb2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2nb2 _Structure_validation_residue.Date_analyzed 2017-01-20 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 64.010000000000005 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 110.926 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.099999999999994 110.896 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.210000000000001 110.863 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 75.510000000000005 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.010000000000005 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 65.140000000000001 111.138 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.120000000000005 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.109999999999999 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.349999999999994 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.010000000000005 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 75.230000000000004 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.439999999999998 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.150000000000006 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.159 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 74.549999999999997 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 75.540000000000006 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.150000000000006 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.544 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 73.329999999999998 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 72.319999999999993 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 75.340000000000003 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.510000000000005 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.049999999999997 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.865 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.179 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.129999999999995 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 75.349999999999994 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.099999999999994 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 55.030000000000001 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 73.510000000000005 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 64.049999999999997 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.400000000000006 111.102 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.209999999999994 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 74.430000000000007 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.543 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 62.119999999999997 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.319999999999993 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.549999999999997 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 73.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.959 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.439999999999998 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 61.130000000000003 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.936 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 63.009999999999998 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.299999999999997 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 70.439999999999998 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.230000000000004 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.549999999999997 110.855 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.16 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 75.140000000000001 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.120000000000005 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.230000000000004 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.420000000000002 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.329999999999998 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 75.209999999999994 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 71.230000000000004 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.540000000000006 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 54.409999999999997 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.926 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.340000000000003 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.310000000000002 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.420000000000002 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 74.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.349999999999994 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 74.430000000000007 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 65.219999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.319999999999993 110.902 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.150000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 111.116 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.010000000000005 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.109999999999999 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.150000000000006 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 70.230000000000004 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.140000000000001 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.450000000000003 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.010000000000005 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.113 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.130000000000003 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 75.140000000000001 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.120000000000005 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 64.019999999999996 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.049999999999997 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.230000000000004 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 75.540000000000006 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 75.519999999999996 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 73.420000000000002 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.039999999999999 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.852 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.140000000000001 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.143 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 75.430000000000007 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 74.299999999999997 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 41.340000000000003 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.230000000000004 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.420000000000002 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 72.049999999999997 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 73.230000000000004 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 54.350000000000001 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.439999999999998 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.430000000000007 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.510000000000005 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 73.010000000000005 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 73.150000000000006 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.099999999999994 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.872 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.400000000000006 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.175 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.140000000000001 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 71.420000000000002 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.540000000000006 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 63.530000000000001 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.230000000000004 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 73.530000000000001 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 111.124 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 74.140000000000001 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 75.319999999999993 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 53.340000000000003 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.310000000000002 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.329999999999998 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 63.229999999999997 110.959 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 72.439999999999998 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.901 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 72.420000000000002 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.019999999999996 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.210000000000001 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.836 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.450000000000003 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 74.319999999999993 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.310000000000002 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.439999999999998 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.230000000000004 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.150000000000006 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 74.310000000000002 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.200000000000003 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.549999999999997 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.229999999999997 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.544 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 74.140000000000001 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.400000000000006 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.409999999999997 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.030000000000001 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.229999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.329999999999998 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 73.420000000000002 110.863 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.936 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.310000000000002 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.829 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.32 111.125 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 71.409999999999997 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.340000000000003 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.409999999999997 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 63.409999999999997 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 72.319999999999993 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 72.200000000000003 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 63.130000000000003 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.210000000000001 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 54.350000000000001 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 74.150000000000006 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 65.400000000000006 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.230000000000004 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.299999999999997 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 70.409999999999997 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.887 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.409999999999997 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.329999999999998 110.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 74.310000000000002 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.040000000000006 110.933 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.150000000000006 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.230000000000004 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.887 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.159 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 72.519999999999996 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 74.549999999999997 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.439999999999998 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 62.100000000000001 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.150000000000006 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.519999999999996 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 65.420000000000002 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.120000000000005 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 72.219999999999999 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.109999999999999 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 73.219999999999999 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 54.549999999999997 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.240000000000002 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 75.400000000000006 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.129999999999995 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 70.140000000000001 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.310000000000002 110.873 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 111.136 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.329999999999998 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 74.329999999999998 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 74.120000000000005 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.140000000000001 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.140000000000001 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.120000000000005 111.132 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.340000000000003 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 71.109999999999999 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.219999999999999 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 72.310000000000002 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 74.530000000000001 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.519999999999996 110.921 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.450000000000003 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.219999999999999 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 74.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 60.219999999999999 110.931 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 75.140000000000001 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.310000000000002 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.239999999999995 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 72.319999999999993 111.197 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 72.349999999999994 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 71.239999999999995 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.509999999999998 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 74.040000000000006 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 73.340000000000003 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.509999999999998 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.329999999999998 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.549999999999997 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.340000000000003 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.219999999999999 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.340000000000003 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.310000000000002 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 75.109999999999999 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.931 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.409999999999997 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.835 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.200000000000003 111.124 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 ' C ' ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.510000000000005 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.230000000000004 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.030000000000001 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 51.409999999999997 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.430000000000007 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.239999999999995 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.329999999999998 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.409999999999997 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.399999999999999 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 63.119999999999997 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 74.540000000000006 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.575 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.230000000000004 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.019999999999996 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 75.450000000000003 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.921 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.349999999999994 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.853 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 111.106 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.209999999999994 111.157 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.030000000000001 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.120000000000005 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.200000000000003 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.030000000000001 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.329999999999998 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.230000000000004 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.040000000000006 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 71.299999999999997 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 74.450000000000003 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.95 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.219999999999999 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.329999999999998 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.109999999999999 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.901 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 75.019999999999996 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.124 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.439999999999998 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 72.409999999999997 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.340000000000003 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 74.200000000000003 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.129999999999995 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.030000000000001 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 65.209999999999994 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.576 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 62.43 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.409999999999997 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.030000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.184 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 75.319999999999993 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.319999999999993 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 75.299999999999997 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.450000000000003 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.882 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.450000000000003 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.168 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 75.549999999999997 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 73.450000000000003 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.340000000000003 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.510000000000002 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 74.319999999999993 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.239999999999995 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 111.133 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.109999999999999 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.239999999999995 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.209999999999994 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.439999999999998 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.519999999999996 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.430000000000007 110.929 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.099999999999994 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.099999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 62.130000000000003 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.350000000000001 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.149999999999999 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 73.409999999999997 110.901 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.229999999999997 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.886 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.85 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.150000000000006 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.329999999999998 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 74.329999999999998 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.209999999999994 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.430000000000007 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.099999999999994 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 54.539999999999999 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.109999999999999 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.439999999999998 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.120000000000005 111.082 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.399999999999999 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 74.430000000000007 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.120000000000005 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.5 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.885 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.34 . . . . 75.019999999999996 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.925 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.549999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.881 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.109999999999999 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 71.310000000000002 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.129999999999995 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.549999999999997 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.350000000000001 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 75.129999999999995 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 74.319999999999993 110.905 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.112 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.430000000000007 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.319999999999993 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 73.439999999999998 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.340000000000003 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.019999999999996 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.948 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.430000000000007 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.361 . . . . 74.299999999999997 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.430000000000007 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.917 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 61.140000000000001 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 53.329999999999998 110.826 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 74.510000000000005 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.167 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.409999999999997 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 74.140000000000001 111.144 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.129999999999995 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 75.420000000000002 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 52.100000000000001 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 74.299999999999997 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 111.119 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.549999999999997 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.040000000000006 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.519999999999996 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.319999999999993 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.349999999999994 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.019999999999996 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.299999999999997 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 75.200000000000003 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.934 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.209999999999994 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.409999999999997 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.109999999999999 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.868 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 65.420000000000002 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.142 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 75.230000000000004 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.450000000000003 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.209999999999994 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.209999999999994 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.099999999999994 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.510000000000005 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.120000000000005 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.130000000000003 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.556 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.510000000000005 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.150000000000006 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.340000000000003 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.310000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.519999999999996 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.329999999999998 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 70.329999999999998 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 65.140000000000001 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 62.310000000000002 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.399999999999999 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.916 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 110.818 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.109999999999999 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.169 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 74.409999999999997 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.299999999999997 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.150000000000006 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.319999999999993 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 75.25 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 63.020000000000003 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.319999999999993 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 73.129999999999995 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.130000000000003 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.510000000000005 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.874 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.219999999999999 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.439999999999998 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.420000000000002 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.200000000000003 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.859 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.019999999999996 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.010000000000005 111.146 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.409999999999997 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.319999999999993 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 72.439999999999998 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 74.319999999999993 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.439999999999998 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 62.520000000000003 110.895 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.329999999999998 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.530000000000001 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 55.509999999999998 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.939 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.200000000000003 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.439999999999998 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 75.439999999999998 110.899 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 110.932 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 63.509999999999998 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 75.120000000000005 110.891 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 63.009999999999998 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.129999999999995 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.040000000000006 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.450000000000003 110.885 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.126 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 70.319999999999993 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.329999999999998 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 62.229999999999997 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 62.509999999999998 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.329999999999998 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 70.25 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.420000000000002 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.140000000000001 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.319999999999993 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 75.400000000000006 110.86 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 110.938 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 52.240000000000002 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.5 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 75.340000000000003 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.844 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 75.120000000000005 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.239999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 111.134 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 63.039999999999999 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 74.450000000000003 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 75.129999999999995 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 63.229999999999997 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.340000000000003 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 75.120000000000005 110.896 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.510000000000005 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.25 111.135 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 41.340000000000003 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 74.209999999999994 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.559 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.539999999999999 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 74.230000000000004 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 70.25 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.299999999999997 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.96 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 75.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 62.109999999999999 110.902 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.230000000000004 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.926 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.420000000000002 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.420000000000002 110.894 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.85 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 111.195 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 71.239999999999995 111.083 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.430000000000007 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 61.350000000000001 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.120000000000005 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.134 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.109999999999999 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 74.530000000000001 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.329999999999998 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.310000000000002 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.099999999999994 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.926 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.130000000000003 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.219999999999999 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 74.329999999999998 110.834 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.549999999999997 110.91 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.864 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.885 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.140000000000001 111.163 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 63.350000000000001 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.420000000000002 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.230000000000004 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.209999999999994 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 73.329999999999998 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 111.143 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.310000000000002 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 74.049999999999997 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.019999999999996 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 62.32 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.409999999999997 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.229999999999997 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 73.420000000000002 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.510000000000005 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 64.439999999999998 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -54.24 -28.9 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.881 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 110.926 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.099999999999994 110.896 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.210000000000001 110.863 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 75.510000000000005 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.010000000000005 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 65.140000000000001 111.138 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.120000000000005 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.109999999999999 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 73.349999999999994 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.010000000000005 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 75.230000000000004 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.439999999999998 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 72.150000000000006 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 111.159 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 74.549999999999997 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 75.540000000000006 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.150000000000006 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 73.329999999999998 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 72.319999999999993 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.49 -29.54 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.340000000000003 110.92 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.510000000000005 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.966 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 73.049999999999997 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 75.310000000000002 110.865 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.179 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.129999999999995 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 75.349999999999994 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 75.219999999999999 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.099999999999994 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 55.030000000000001 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 73.510000000000005 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 64.049999999999997 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.400000000000006 111.102 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.209999999999994 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 74.430000000000007 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.543 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 62.119999999999997 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.319999999999993 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 73.340000000000003 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.549999999999997 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 74.430000000000007 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.99 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.89 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.959 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.439999999999998 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 61.130000000000003 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.936 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 63.009999999999998 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.299999999999997 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 70.439999999999998 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.230000000000004 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.549999999999997 110.855 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 111.16 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 75.140000000000001 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.120000000000005 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.230000000000004 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.420000000000002 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.329999999999998 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 75.209999999999994 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 71.230000000000004 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.540000000000006 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 54.409999999999997 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.150000000000006 110.926 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.340000000000003 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.310000000000002 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.420000000000002 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 63.310000000000002 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -51.8 -42.04 62.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.857 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.349999999999994 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.93 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 74.430000000000007 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 65.219999999999999 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.319999999999993 110.902 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.150000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 111.116 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.010000000000005 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.109999999999999 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.150000000000006 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 70.230000000000004 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.140000000000001 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.450000000000003 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.010000000000005 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.113 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.130000000000003 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 75.140000000000001 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.120000000000005 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 64.019999999999996 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.049999999999997 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.310000000000002 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.310000000000002 110.917 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.230000000000004 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 71.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.08 -28.13 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.540000000000006 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 75.519999999999996 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 73.420000000000002 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.039999999999999 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.852 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.140000000000001 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.143 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 75.430000000000007 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 74.299999999999997 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 41.340000000000003 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.230000000000004 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.109999999999999 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.420000000000002 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 72.049999999999997 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 73.230000000000004 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 54.350000000000001 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.932 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.439999999999998 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.430000000000007 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -52.59 -33.31 45.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.510000000000005 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 73.010000000000005 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.310000000000002 110.939 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 73.150000000000006 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.099999999999994 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.872 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.400000000000006 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.175 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.140000000000001 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 71.420000000000002 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.540000000000006 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 63.530000000000001 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.230000000000004 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 73.530000000000001 110.893 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 111.124 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 74.140000000000001 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 75.319999999999993 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 53.340000000000003 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.310000000000002 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.329999999999998 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 63.229999999999997 110.959 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 73.409999999999997 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.36 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.439999999999998 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.901 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 72.420000000000002 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.019999999999996 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 72.140000000000001 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.210000000000001 110.925 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.836 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.450000000000003 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.149 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 74.319999999999993 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.310000000000002 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.439999999999998 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.230000000000004 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.150000000000006 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 74.310000000000002 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.200000000000003 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.549999999999997 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 75.239999999999995 111.144 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.229999999999997 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 74.140000000000001 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.400000000000006 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.409999999999997 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.030000000000001 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 110.921 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.229999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.329999999999998 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 74.430000000000007 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -39.19 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.936 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.310000000000002 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.829 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.32 111.125 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 71.409999999999997 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.340000000000003 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.450000000000003 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.409999999999997 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 63.409999999999997 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 72.319999999999993 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 72.200000000000003 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 63.130000000000003 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 63.210000000000001 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 54.350000000000001 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 74.150000000000006 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 65.400000000000006 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.230000000000004 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.299999999999997 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 70.409999999999997 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.887 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -70.34 -29.93 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 75.409999999999997 110.866 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 75.329999999999998 110.944 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 74.310000000000002 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.040000000000006 110.933 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.150000000000006 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.230000000000004 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.887 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.159 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 72.519999999999996 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 74.549999999999997 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 72.439999999999998 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 62.100000000000001 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.150000000000006 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.519999999999996 110.843 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 65.420000000000002 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.108 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.120000000000005 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 72.219999999999999 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.109999999999999 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 73.219999999999999 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 54.549999999999997 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 61.240000000000002 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 74.010000000000005 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -67.77 -34.73 77.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 110.872 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.129999999999995 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 70.140000000000001 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.310000000000002 110.873 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 111.136 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.329999999999998 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 74.329999999999998 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 74.120000000000005 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.140000000000001 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.140000000000001 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.120000000000005 111.132 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.340000000000003 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 71.109999999999999 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.219999999999999 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 72.310000000000002 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 74.530000000000001 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.519999999999996 110.921 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.450000000000003 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.219999999999999 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.332 . . . . 63.100000000000001 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -56.27 -31.0 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 60.219999999999999 110.931 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 75.140000000000001 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.310000000000002 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.239999999999995 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 72.319999999999993 111.197 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 72.349999999999994 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 71.239999999999995 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.509999999999998 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 74.040000000000006 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 73.340000000000003 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.509999999999998 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.329999999999998 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.549999999999997 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.340000000000003 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.219999999999999 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.340000000000003 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.310000000000002 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.34 . . . . 70.530000000000001 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -54.83 -41.71 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.109999999999999 110.868 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.931 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.409999999999997 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.908 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 73.200000000000003 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.835 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.200000000000003 111.124 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 ' C ' ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.510000000000005 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.230000000000004 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.030000000000001 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 51.409999999999997 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.430000000000007 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.239999999999995 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.329999999999998 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 65.409999999999997 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.399999999999999 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 63.119999999999997 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 74.540000000000006 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.575 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.230000000000004 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 75.019999999999996 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 74.310000000000002 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -68.52 -34.33 75.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.921 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.349999999999994 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.853 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.874 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 111.106 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.209999999999994 111.157 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.030000000000001 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.120000000000005 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.200000000000003 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 73.239999999999995 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.030000000000001 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.329999999999998 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.230000000000004 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.430000000000007 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.040000000000006 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 71.299999999999997 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.909 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.759 0.314 . . . . 63.530000000000001 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -51.92 -40.57 60.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.848 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.95 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.219999999999999 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 62.329999999999998 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.109999999999999 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 74.310000000000002 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.901 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 75.019999999999996 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.124 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.439999999999998 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 72.409999999999997 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.340000000000003 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 74.200000000000003 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.129999999999995 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.030000000000001 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 65.209999999999994 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.576 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 62.43 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.576 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.409999999999997 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.030000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.184 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 64.510000000000005 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -52.97 -32.77 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.319999999999993 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 75.299999999999997 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.450000000000003 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.882 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.450000000000003 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.168 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 75.549999999999997 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 73.450000000000003 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.340000000000003 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.510000000000002 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 74.319999999999993 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.239999999999995 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 75.129999999999995 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 111.133 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.109999999999999 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.239999999999995 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.209999999999994 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.439999999999998 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.519999999999996 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.430000000000007 110.929 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.099999999999994 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.099999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 61.219999999999999 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -29.91 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 62.130000000000003 110.912 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.350000000000001 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.149999999999999 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 73.409999999999997 110.901 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.229999999999997 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.886 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.85 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.150000000000006 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.329999999999998 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 74.329999999999998 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.209999999999994 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 71.430000000000007 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.099999999999994 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 54.539999999999999 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.109999999999999 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 62.439999999999998 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.120000000000005 111.082 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.399999999999999 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 74.430000000000007 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.551 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.120000000000005 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.5 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.885 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 73.329999999999998 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -69.52 -30.81 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.925 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 75.109999999999999 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.549999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.881 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.109999999999999 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 71.310000000000002 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.129999999999995 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.549999999999997 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.350000000000001 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 75.129999999999995 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 74.319999999999993 110.905 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.112 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.430000000000007 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.319999999999993 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.552 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 73.439999999999998 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.340000000000003 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 71.019999999999996 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.948 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.430000000000007 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 74.439999999999998 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.43 -45.03 49.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.299999999999997 110.903 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.430000000000007 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.917 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 61.140000000000001 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.906 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 53.329999999999998 110.826 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 74.510000000000005 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.167 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.409999999999997 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 74.140000000000001 111.144 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.129999999999995 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 75.420000000000002 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 52.100000000000001 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 74.299999999999997 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 71.230000000000004 111.119 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.549999999999997 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.040000000000006 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.519999999999996 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.532 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.319999999999993 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.349999999999994 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.019999999999996 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.299999999999997 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 63.32 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -51.07 -48.91 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 75.200000000000003 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.934 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.209999999999994 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.409999999999997 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.109999999999999 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.868 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 65.420000000000002 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.142 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 75.230000000000004 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.450000000000003 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 72.209999999999994 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.209999999999994 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.099999999999994 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.510000000000005 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.120000000000005 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.130000000000003 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.556 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.510000000000005 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.556 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.150000000000006 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.340000000000003 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.310000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.519999999999996 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.329999999999998 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 71.329999999999998 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -39.23 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 70.329999999999998 110.85 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 65.140000000000001 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 62.310000000000002 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.399999999999999 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.916 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 110.9 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 110.818 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 74.409999999999997 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.109999999999999 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 111.169 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' C ' ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 74.409999999999997 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.299999999999997 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.150000000000006 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.319999999999993 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 75.25 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 63.020000000000003 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.319999999999993 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 73.129999999999995 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.130000000000003 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 73.450000000000003 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.15 -31.6 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.510000000000005 110.883 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.874 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.219999999999999 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.439999999999998 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 70.420000000000002 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.200000000000003 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.859 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.019999999999996 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.010000000000005 111.146 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.209999999999994 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.409999999999997 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.319999999999993 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 72.439999999999998 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 74.319999999999993 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 75.340000000000003 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.109999999999999 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.439999999999998 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 62.520000000000003 110.895 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.329999999999998 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.530000000000001 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 55.509999999999998 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.939 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.200000000000003 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.439999999999998 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 62.399999999999999 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.75 -40.38 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 110.899 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 110.932 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 63.509999999999998 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 75.120000000000005 110.891 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 63.009999999999998 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.129999999999995 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.040000000000006 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.450000000000003 110.885 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.126 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.239999999999995 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 70.319999999999993 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.329999999999998 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 62.229999999999997 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 62.509999999999998 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.329999999999998 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 75.400000000000006 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 70.25 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.420000000000002 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.140000000000001 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.319999999999993 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 73.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 75.219999999999999 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -55.59 -38.02 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 75.400000000000006 110.86 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 110.938 -179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 52.240000000000002 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.5 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 75.340000000000003 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.519999999999996 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.844 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 75.120000000000005 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.239999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 111.134 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 63.039999999999999 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 74.450000000000003 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 75.129999999999995 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 63.229999999999997 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.340000000000003 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 75.120000000000005 110.896 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.510000000000005 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.25 111.135 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 41.340000000000003 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 74.209999999999994 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.559 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.539999999999999 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 74.230000000000004 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 70.25 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.299999999999997 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 73.349999999999994 110.96 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -35.88 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.040000000000006 110.897 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 62.109999999999999 110.902 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.230000000000004 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.319999999999993 110.926 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.420000000000002 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.420000000000002 110.894 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.85 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 111.195 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 71.239999999999995 111.083 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.430000000000007 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.893 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 61.350000000000001 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.120000000000005 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 111.134 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.109999999999999 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 74.530000000000001 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.329999999999998 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.310000000000002 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.099999999999994 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.926 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 63.130000000000003 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.219999999999999 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 75.109999999999999 110.864 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -34.87 77.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 110.834 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.549999999999997 110.91 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 72.439999999999998 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.864 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.885 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.140000000000001 111.163 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 63.350000000000001 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.420000000000002 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.230000000000004 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 74.209999999999994 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 73.329999999999998 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 111.143 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.310000000000002 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 74.049999999999997 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.019999999999996 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.549 ' CB ' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 62.32 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.409999999999997 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.229999999999997 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 73.420000000000002 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.510000000000005 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 64.010000000000005 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.798 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.926 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 51.539999999999999 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.563 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.099999999999994 110.896 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 15' ' ' THR . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.210000000000001 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.030000000000001 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 12' ' ' SER . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 111.138 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 51.109999999999999 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.120000000000005 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.109999999999999 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.010000000000005 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 64.209999999999994 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 53.030000000000001 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 65.329999999999998 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 65.120000000000005 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.563 HG21 ' ND2' ' A' ' 11' ' ' ASN . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.159 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 63.039999999999999 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 64.409999999999997 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.299999999999997 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 72.540000000000006 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 51.43 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 62.399999999999999 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 60.210000000000001 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 3' ' ' TYR . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.530000000000001 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 72.109999999999999 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.510000000000005 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.075 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.409999999999997 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.2 t-20 -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 64.049999999999997 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 15' ' ' THR . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.219999999999999 110.865 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 55.130000000000003 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 71.530000000000001 111.179 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.129999999999995 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 61.210000000000001 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.439999999999998 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.099999999999994 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 54.43 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 63.43 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 61.450000000000003 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.521 HG21 ' ND2' ' A' ' 11' ' ' ASN . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.400000000000006 111.102 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.209999999999994 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 52.119999999999997 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.075 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 52.520000000000003 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.001 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.319999999999993 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 51.210000000000001 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.109999999999999 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 73.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 35' ' ' LEU . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 51.299999999999997 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 41.32 110.936 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 61.509999999999998 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.299999999999997 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 60.039999999999999 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.230000000000004 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 15' ' ' THR . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.030000000000001 110.855 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 12' ' ' SER . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 65.099999999999994 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.120000000000005 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.230000000000004 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 60.439999999999998 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 51.140000000000001 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.119999999999997 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.329999999999998 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 63.210000000000001 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 44.450000000000003 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 50.399999999999999 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.540000000000006 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 53.229999999999997 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 3' ' ' TYR . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 72.430000000000007 110.926 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.140000000000001 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.310000000000002 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.420000000000002 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 74.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.349999999999994 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.93 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 73.219999999999999 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.892 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' THR . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.030000000000001 110.902 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.150000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 12' ' ' SER . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 111.116 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.010000000000005 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.109999999999999 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.200000000000003 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.150000000000006 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 60.210000000000001 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.140000000000001 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.450000000000003 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.010000000000005 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG21 ' ND2' ' A' ' 11' ' ' ASN . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.113 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.130000000000003 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 72.319999999999993 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 31.52 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 55.509999999999998 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.049999999999997 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 43.509999999999998 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 60.240000000000002 110.917 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.230000000000004 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 75.540000000000006 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' OH ' HD21 ' A' ' 35' ' ' LEU . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.120000000000005 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 54.109999999999999 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.039999999999999 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 32.210000000000001 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' THR . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.852 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 12' ' ' SER . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.143 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 65.420000000000002 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 64.420000000000002 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 30.300000000000001 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.230000000000004 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 55.25 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.420000000000002 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 71.420000000000002 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 63.399999999999999 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 51.32 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.932 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.510000000000005 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 55.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.69 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 44.420000000000002 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.340000000000003 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.099999999999994 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.675 ' O ' HG22 ' A' ' 15' ' ' THR . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.872 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' SER . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.175 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.140000000000001 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 63.399999999999999 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.540000000000006 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG2' HD12 ' A' ' 27' ' ' ILE . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 54.119999999999997 110.893 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.549999999999997 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' A' ' 23' ' ' MET . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.210000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 54.210000000000001 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 42.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.996 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.310000000000002 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.996 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.329999999999998 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 61.119999999999997 110.959 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 65.439999999999998 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 70.230000000000004 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 35' ' ' LEU . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.901 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 65.219999999999999 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.019999999999996 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 65.430000000000007 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.210000000000001 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 15' ' ' THR . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.836 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.329999999999998 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 12' ' ' SER . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 70.420000000000002 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.310000000000002 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.439999999999998 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.230000000000004 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.150000000000006 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 72.209999999999994 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.200000000000003 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.549999999999997 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.534 HG21 ' ND2' ' A' ' 11' ' ' ASN . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 52.420000000000002 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.229999999999997 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.983 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 64.109999999999999 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.400000000000006 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.409999999999997 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.030000000000001 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 3' ' ' TYR . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.229999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 64.219999999999999 110.863 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' HD12 ' A' ' 35' ' ' LEU . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.936 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.310000000000002 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.239999999999995 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.829 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' SER . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.149999999999999 111.125 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 65.519999999999996 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.319999999999993 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 60.439999999999998 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 70.439999999999998 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 52.329999999999998 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 60.310000000000002 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 51.149999999999999 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 54.25 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 61.509999999999998 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 54.130000000000003 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.230000000000004 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.299999999999997 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 44.329999999999998 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 3' ' ' TYR . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.299999999999997 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.409999999999997 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.754 ' CD2' HD23 ' A' ' 35' ' ' LEU . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 74.030000000000001 110.944 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 52.43 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 63.030000000000001 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 31' ' ' ALA . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.530000000000001 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.109999999999999 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.150000000000006 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.230000000000004 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 61.329999999999998 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' HG22 ' A' ' 15' ' ' THR . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.887 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 12' ' ' SER . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.159 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 54.240000000000002 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 55.520000000000003 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 71.150000000000006 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 62.049999999999997 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.340000000000003 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.150000000000006 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' ILE . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.519999999999996 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 45.030000000000001 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 23' ' ' MET . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.108 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.120000000000005 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 71.129999999999995 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.951 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.109999999999999 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.951 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 71.030000000000001 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 70.150000000000006 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 41.299999999999997 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.754 HD23 ' CD2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.948 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.129999999999995 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.150000000000006 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.129999999999995 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.149999999999999 110.906 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 60.329999999999998 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' A' ' 27' ' ' ILE . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.629 ' O ' HG22 ' A' ' 15' ' ' THR . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.310000000000002 110.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 61.219999999999999 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 12' ' ' SER . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 63.439999999999998 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.329999999999998 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 72.439999999999998 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 62.43 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.140000000000001 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.140000000000001 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG23 ' OD1' ' A' ' 11' ' ' ASN . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.120000000000005 111.132 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.340000000000003 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 65.239999999999995 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.219999999999999 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 53.140000000000001 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 43.149999999999999 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 53.329999999999998 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 31' ' ' ALA . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.519999999999996 110.921 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.439999999999998 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 55.140000000000001 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 65.540000000000006 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 52.140000000000001 110.931 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.129999999999995 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 60.109999999999999 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.310000000000002 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 15' ' ' THR . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.239999999999995 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 12' ' ' SER . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.197 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 70.140000000000001 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 70.340000000000003 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.239999999999995 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.509999999999998 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 62.140000000000001 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 72.019999999999996 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.509999999999998 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.329999999999998 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.549999999999997 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.340000000000003 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.219999999999999 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD13 ' OH ' ' A' ' 3' ' ' TYR . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.329999999999998 110.903 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.310000000000002 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 75.109999999999999 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CD1' HD11 ' A' ' 35' ' ' LEU . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.931 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.030000000000001 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 3' ' ' TYR . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 61.340000000000003 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 60.119999999999997 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' HG22 ' A' ' 15' ' ' THR . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.200000000000003 110.835 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 12' ' ' SER . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.200000000000003 111.124 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.510000000000005 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.230000000000004 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.329999999999998 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.030000000000001 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 43.409999999999997 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.430000000000007 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 61.299999999999997 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.329999999999998 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 61.210000000000001 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.399999999999999 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 54.009999999999998 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 52.439999999999998 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.230000000000004 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.119999999999997 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 35.049999999999997 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.934 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.549999999999997 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.239999999999995 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 75.450000000000003 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' HD21 ' A' ' 35' ' ' LEU . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.921 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.439999999999998 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.230000000000004 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 15' ' ' THR . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.450000000000003 110.853 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.874 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' SER . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.106 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 14' ' ' CYS . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 52.509999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.030000000000001 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.030000000000001 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 70.430000000000007 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.200000000000003 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 64.150000000000006 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.140000000000001 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.329999999999998 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.230000000000004 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 41.329999999999998 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.040000000000006 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 64.530000000000001 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.909 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.509999999999998 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 72.310000000000002 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' A' ' 35' ' ' LEU . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.95 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.239999999999995 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.310000000000002 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.109999999999999 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 15' ' ' THR . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 60.210000000000001 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 12' ' ' SER . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.124 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.439999999999998 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 23.539999999999999 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 73.430000000000007 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 64.519999999999996 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 42.530000000000001 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.030000000000001 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 51.109999999999999 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 60.509999999999998 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 53.210000000000001 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.409999999999997 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.509999999999998 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.918 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.520000000000003 111.184 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 72.019999999999996 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 75.319999999999993 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' HD11 ' A' ' 35' ' ' LEU . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.319999999999993 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.210000000000001 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 52.130000000000003 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 65.129999999999995 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.450000000000003 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG21 ' A' ' 27' ' ' ILE . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.648 ' O ' HG22 ' A' ' 15' ' ' THR . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.450000000000003 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.168 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 63.25 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 72.099999999999994 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.340000000000003 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.140000000000001 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.510000000000002 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 71.150000000000006 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.576 HG21 ' OD1' ' A' ' 11' ' ' ASN . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.010000000000005 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 70.230000000000004 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.239999999999995 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.209999999999994 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.439999999999998 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.519999999999996 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 3' ' ' TYR . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 110.929 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.099999999999994 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.099999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 55.409999999999997 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 43.009999999999998 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.981 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 62.509999999999998 110.901 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 60.109999999999999 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.229999999999997 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.411 ' OD1' HG21 ' A' ' 27' ' ' ILE . 1.1 t30 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.886 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 15' ' ' THR . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.85 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.150000000000006 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 12' ' ' SER . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.109 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.329999999999998 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 72.340000000000003 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.010000000000005 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.099999999999994 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.310000000000002 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.099999999999994 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 52.100000000000001 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.109999999999999 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.411 HG21 ' OD1' ' A' ' 11' ' ' ASN . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.109999999999999 111.082 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.399999999999999 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.5 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.120000000000005 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 64.030000000000001 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 3' ' ' TYR . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 52.350000000000001 110.885 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 53.32 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.34 . . . . 75.019999999999996 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CE2' HD13 ' A' ' 35' ' ' LEU . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 63.350000000000001 110.925 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 65.450000000000003 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.510000000000005 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.549999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB2' HD13 ' A' ' 27' ' ' ILE . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 61.210000000000001 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 15' ' ' THR . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.881 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.109999999999999 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 61.340000000000003 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 12' ' ' SER . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.205 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 40.32 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.129999999999995 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.549999999999997 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.350000000000001 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 71.319999999999993 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.426 ' HG2' HD12 ' A' ' 27' ' ' ILE . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 71.239999999999995 110.905 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 23' ' ' MET . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 64.400000000000006 111.112 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.430000000000007 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 62.420000000000002 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.998 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 72.230000000000004 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.998 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.340000000000003 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 70.120000000000005 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD13 ' CE2' ' A' ' 3' ' ' TYR . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.948 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 54.340000000000003 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.361 . . . . 73.030000000000001 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.430000000000007 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.917 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 40.240000000000002 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.513 ' OD1' HG23 ' A' ' 27' ' ' ILE . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.349999999999994 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' THR . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 31.030000000000001 110.826 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 64.510000000000005 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.898 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' SER . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.167 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.549999999999997 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' SG ' ' A' ' 14' ' ' CYS . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 65.329999999999998 111.144 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.129999999999995 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.319999999999993 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 51.520000000000003 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 72.230000000000004 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' OD1' ' A' ' 11' ' ' ASN . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 63.210000000000001 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.549999999999997 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.040000000000006 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.519999999999996 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.988 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.319999999999993 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.988 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.349999999999994 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.019999999999996 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.299999999999997 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.040000000000006 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 75.200000000000003 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB1' ' A' ' 31' ' ' ALA . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.019999999999996 110.934 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.209999999999994 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.450000000000003 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.109999999999999 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' HG22 ' A' ' 15' ' ' THR . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.868 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 70.109999999999999 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 44.32 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.142 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 71.219999999999999 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 72.510000000000005 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.010000000000005 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.140000000000001 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.129999999999995 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.099999999999994 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.510000000000005 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.120000000000005 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.130000000000003 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.510000000000005 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.150000000000006 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 63.409999999999997 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 54.130000000000003 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.519999999999996 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.019999999999996 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 70.329999999999998 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 54.100000000000001 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.399999999999999 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.037 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 62.329999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 27' ' ' ILE . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.633 ' O ' HG22 ' A' ' 15' ' ' THR . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.540000000000006 110.818 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.109999999999999 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 12' ' ' SER . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 54.219999999999999 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 72.430000000000007 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.239999999999995 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.727 ' H ' HG22 ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.150000000000006 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.319999999999993 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 72.340000000000003 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 62.149999999999999 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 71.150000000000006 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 64.019999999999996 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 ' OD1' ' A' ' 11' ' ' ASN . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.139 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 61.439999999999998 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.319999999999993 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 54.140000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 71.310000000000002 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.130000000000003 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.240000000000002 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.886 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.510000000000005 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.874 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 55.210000000000001 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.439999999999998 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.200000000000003 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 15' ' ' THR . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.859 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 63.539999999999999 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.019999999999996 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.439999999999998 111.146 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.409999999999997 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.319999999999993 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 63.329999999999998 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 51.219999999999999 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 73.049999999999997 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.349999999999994 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 25.440000000000001 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.430000000000007 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.439999999999998 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 61.119999999999997 110.895 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.329999999999998 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.409999999999997 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 34.299999999999997 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 3' ' ' TYR . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 62.119999999999997 110.939 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.200000000000003 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.439999999999998 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 75.439999999999998 110.899 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 110.932 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 54.219999999999999 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 110.891 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 54.329999999999998 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.129999999999995 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 61.509999999999998 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 15' ' ' THR . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.450000000000003 110.885 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 12' ' ' SER . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.126 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 62.200000000000003 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 62.409999999999997 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.329999999999998 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 55.219999999999999 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 44.109999999999999 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.329999999999998 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 54.530000000000001 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.340000000000003 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.25 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.140000000000001 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.319999999999993 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 3' ' ' TYR . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 55.32 110.902 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 40.399999999999999 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 73.319999999999993 110.86 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 35' ' ' LEU . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.938 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 41.340000000000003 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 73.040000000000006 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' THR . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 65.140000000000001 110.844 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.519999999999996 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 55.119999999999997 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' SER . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.826 HG22 ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 73.310000000000002 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 40.140000000000001 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.826 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 51.149999999999999 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.340000000000003 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 74.219999999999999 110.896 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 55.439999999999998 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 23' ' ' MET . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 111.135 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 32.240000000000002 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 71.109999999999999 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.976 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.539999999999999 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.976 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 72.109999999999999 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.310000000000002 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.299999999999997 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 3' ' ' TYR . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.099999999999994 110.96 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.030000000000001 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 75.040000000000006 110.897 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HD2' HD21 ' A' ' 35' ' ' LEU . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 60.450000000000003 110.902 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.230000000000004 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.926 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.420000000000002 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.555 ' OD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 63.240000000000002 110.894 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 15' ' ' THR . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.150000000000006 110.85 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 12' ' ' SER . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 111.195 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 72.319999999999993 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 19' ' ' ASP . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 55.549999999999997 111.083 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.430000000000007 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.400000000000006 110.893 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 42.520000000000003 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.120000000000005 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 HG21 ' OD1' ' A' ' 11' ' ' ASN . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 111.134 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.109999999999999 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 64.510000000000005 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.329999999999998 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.310000000000002 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 3' ' ' TYR . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 62.310000000000002 110.926 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 54.149999999999999 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.049999999999997 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 74.329999999999998 110.834 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.399999999999999 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 65.310000000000002 110.91 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 61.130000000000003 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 61.530000000000001 110.864 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 15' ' ' THR . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.885 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.140000000000001 111.163 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 61.350000000000001 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.420000000000002 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.230000000000004 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 21.399999999999999 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 70.099999999999994 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 62.539999999999999 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HG21 ' OD1' ' A' ' 11' ' ' ASN . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.143 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.310000000000002 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 60.350000000000001 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.019999999999996 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 60.5 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.409999999999997 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.130000000000003 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 63.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 60.509999999999998 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.5 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 64.120000000000005 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -54.24 -28.9 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.881 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.798 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.926 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.430000000000007 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 51.539999999999999 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.510000000000005 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.563 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.099999999999994 110.896 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 15' ' ' THR . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.210000000000001 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.120000000000005 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.030000000000001 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 12' ' ' SER . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 64.040000000000006 111.138 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 51.109999999999999 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.120000000000005 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.109999999999999 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.120000000000005 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.010000000000005 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.109999999999999 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 64.209999999999994 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 53.030000000000001 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 65.329999999999998 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 65.120000000000005 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.563 HG21 ' ND2' ' A' ' 11' ' ' ASN . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.159 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 63.039999999999999 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 64.409999999999997 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.299999999999997 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 72.540000000000006 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 51.43 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 62.399999999999999 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 60.210000000000001 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 3' ' ' TYR . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.239999999999995 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.530000000000001 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.49 -29.54 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.510000000000005 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.329999999999998 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.140000000000001 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.075 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.409999999999997 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.521 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.2 t-20 -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 64.049999999999997 110.859 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 15' ' ' THR . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.219999999999999 110.865 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 55.130000000000003 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 71.530000000000001 111.179 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.129999999999995 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 61.210000000000001 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.439999999999998 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.099999999999994 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 54.43 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 63.43 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.450000000000003 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 61.450000000000003 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.521 HG21 ' ND2' ' A' ' 11' ' ' ASN . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.400000000000006 111.102 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.209999999999994 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 52.119999999999997 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.439999999999998 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.075 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 52.520000000000003 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.001 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.319999999999993 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 51.210000000000001 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.109999999999999 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 64.129999999999995 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.99 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.89 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 35' ' ' LEU . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 51.299999999999997 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 41.32 110.936 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 61.509999999999998 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.299999999999997 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 60.039999999999999 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.230000000000004 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 15' ' ' THR . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.030000000000001 110.855 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.329999999999998 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 12' ' ' SER . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 65.099999999999994 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.120000000000005 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.120000000000005 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.230000000000004 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 60.439999999999998 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.120000000000005 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 51.140000000000001 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.099999999999994 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.119999999999997 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.329999999999998 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 63.210000000000001 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 44.450000000000003 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 50.399999999999999 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.540000000000006 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 53.229999999999997 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 3' ' ' TYR . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 72.430000000000007 110.926 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.140000000000001 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.310000000000002 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.420000000000002 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 63.310000000000002 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -51.8 -42.04 62.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.857 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.319999999999993 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.349999999999994 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.93 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.010000000000005 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 73.219999999999999 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.210000000000001 110.892 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' THR . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.030000000000001 110.902 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.209999999999994 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.150000000000006 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 12' ' ' SER . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 64.530000000000001 111.116 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.010000000000005 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.109999999999999 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.200000000000003 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.310000000000002 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.150000000000006 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 60.210000000000001 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.140000000000001 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.450000000000003 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.010000000000005 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.130000000000003 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG21 ' ND2' ' A' ' 11' ' ' ASN . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.113 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.130000000000003 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 72.319999999999993 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 31.52 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 55.509999999999998 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.049999999999997 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 43.509999999999998 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 60.240000000000002 110.917 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.230000000000004 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 71.340000000000003 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.08 -28.13 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.540000000000006 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' OH ' HD21 ' A' ' 35' ' ' LEU . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.409999999999997 110.905 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.120000000000005 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 54.109999999999999 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.039999999999999 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.230000000000004 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 32.210000000000001 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' THR . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 110.852 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 12' ' ' SER . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.143 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 65.420000000000002 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 64.420000000000002 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.319999999999993 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 30.300000000000001 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.230000000000004 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.420000000000002 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 71.340000000000003 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 55.25 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.420000000000002 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 71.420000000000002 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 63.399999999999999 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 51.32 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.329999999999998 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.932 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 71.430000000000007 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -52.59 -33.31 45.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.510000000000005 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 55.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 44.420000000000002 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.340000000000003 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.099999999999994 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.675 ' O ' HG22 ' A' ' 15' ' ' THR . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.872 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' SER . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.175 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.140000000000001 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 63.399999999999999 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.540000000000006 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.310000000000002 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.219999999999999 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG2' HD12 ' A' ' 27' ' ' ILE . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 54.119999999999997 110.893 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.549999999999997 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' A' ' 23' ' ' MET . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.210000000000001 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 54.210000000000001 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 73.239999999999995 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 42.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.996 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.310000000000002 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.996 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.329999999999998 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 61.119999999999997 110.959 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 65.439999999999998 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 73.409999999999997 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.36 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 70.230000000000004 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 35' ' ' LEU . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.901 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 65.219999999999999 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.019999999999996 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 65.430000000000007 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.210000000000001 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 15' ' ' THR . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.836 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.329999999999998 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 12' ' ' SER . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.349999999999994 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 70.420000000000002 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.310000000000002 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.439999999999998 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.230000000000004 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.150000000000006 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 72.209999999999994 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.200000000000003 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.549999999999997 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.534 HG21 ' ND2' ' A' ' 11' ' ' ASN . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 52.420000000000002 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.229999999999997 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.983 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 64.109999999999999 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.400000000000006 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.409999999999997 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.030000000000001 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 3' ' ' TYR . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.229999999999997 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 74.430000000000007 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -39.19 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.219999999999999 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' HD12 ' A' ' 35' ' ' LEU . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.936 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.140000000000001 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.310000000000002 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.239999999999995 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.409999999999997 110.829 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' SER . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.149999999999999 111.125 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.430000000000007 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 65.519999999999996 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.319999999999993 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 60.439999999999998 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 70.439999999999998 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 52.329999999999998 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 60.310000000000002 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.329999999999998 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.150000000000006 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 51.149999999999999 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 54.25 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 61.509999999999998 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 54.130000000000003 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.230000000000004 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.299999999999997 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 44.329999999999998 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 3' ' ' TYR . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.299999999999997 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.209999999999994 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.430000000000007 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -70.34 -29.93 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 75.409999999999997 110.866 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.754 ' CD2' HD23 ' A' ' 35' ' ' LEU . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 74.030000000000001 110.944 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 52.43 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 63.030000000000001 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 31' ' ' ALA . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.530000000000001 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.109999999999999 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.150000000000006 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.230000000000004 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 61.329999999999998 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' HG22 ' A' ' 15' ' ' THR . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.887 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.319999999999993 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 12' ' ' SER . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.159 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 54.240000000000002 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 55.520000000000003 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 71.150000000000006 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 62.049999999999997 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.340000000000003 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.150000000000006 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' ILE . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.519999999999996 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.200000000000003 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 45.030000000000001 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.329999999999998 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 23' ' ' MET . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.108 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.120000000000005 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 71.129999999999995 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.530000000000001 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.951 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.109999999999999 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.951 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 71.030000000000001 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 70.150000000000006 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 41.299999999999997 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.754 HD23 ' CD2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.948 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 74.010000000000005 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -67.77 -34.73 77.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.129999999999995 110.872 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.150000000000006 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.129999999999995 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.149999999999999 110.906 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.040000000000006 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 60.329999999999998 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' A' ' 27' ' ' ILE . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.629 ' O ' HG22 ' A' ' 15' ' ' THR . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.310000000000002 110.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 61.219999999999999 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 12' ' ' SER . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 63.439999999999998 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.329999999999998 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 72.439999999999998 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 62.43 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.140000000000001 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.140000000000001 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.420000000000002 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG23 ' OD1' ' A' ' 11' ' ' ASN . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.120000000000005 111.132 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.340000000000003 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 65.239999999999995 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.219999999999999 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 53.140000000000001 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 43.149999999999999 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 53.329999999999998 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 31' ' ' ALA . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.519999999999996 110.921 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.439999999999998 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 55.140000000000001 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.332 . . . . 63.100000000000001 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -56.27 -31.0 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 65.540000000000006 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 52.140000000000001 110.931 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.129999999999995 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 60.109999999999999 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.310000000000002 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 15' ' ' THR . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.239999999999995 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 12' ' ' SER . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 71.510000000000005 111.197 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 70.140000000000001 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 70.340000000000003 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.239999999999995 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.509999999999998 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 62.140000000000001 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 72.019999999999996 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.140000000000001 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.509999999999998 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.329999999999998 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.549999999999997 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.340000000000003 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.219999999999999 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD13 ' OH ' ' A' ' 3' ' ' TYR . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.329999999999998 110.903 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.310000000000002 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.34 . . . . 42.409999999999997 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -54.83 -41.71 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.109999999999999 110.868 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CD1' HD11 ' A' ' 35' ' ' LEU . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.931 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.030000000000001 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 3' ' ' TYR . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 61.340000000000003 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 60.119999999999997 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' HG22 ' A' ' 15' ' ' THR . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.200000000000003 110.835 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.310000000000002 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.030000000000001 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 12' ' ' SER . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.200000000000003 111.124 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.510000000000005 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.230000000000004 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.329999999999998 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.030000000000001 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 43.409999999999997 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.430000000000007 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 61.299999999999997 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.329999999999998 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 61.210000000000001 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.399999999999999 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 54.009999999999998 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 52.439999999999998 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.230000000000004 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.119999999999997 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 35.049999999999997 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.934 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.549999999999997 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.239999999999995 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 74.310000000000002 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -68.52 -34.33 75.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' HD21 ' A' ' 35' ' ' LEU . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.921 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.219999999999999 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.439999999999998 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.109999999999999 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.230000000000004 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 62.210000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 15' ' ' THR . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.450000000000003 110.853 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.230000000000004 110.874 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' SER . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.106 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 14' ' ' CYS . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 52.509999999999998 111.157 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.030000000000001 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.030000000000001 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 70.430000000000007 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.200000000000003 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 64.150000000000006 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.140000000000001 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.329999999999998 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.230000000000004 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 41.329999999999998 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.040000000000006 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 64.530000000000001 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.349999999999994 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.909 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.509999999999998 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.759 0.314 . . . . 43.32 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -51.92 -40.57 60.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.848 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' A' ' 35' ' ' LEU . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.95 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.239999999999995 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.310000000000002 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.409999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.109999999999999 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 15' ' ' THR . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 60.210000000000001 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 12' ' ' SER . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.124 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.439999999999998 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 23.539999999999999 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 73.430000000000007 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 64.519999999999996 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 42.530000000000001 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.030000000000001 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 51.109999999999999 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 60.509999999999998 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 53.210000000000001 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.409999999999997 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.509999999999998 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.918 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.520000000000003 111.184 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 72.019999999999996 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 64.510000000000005 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -52.97 -32.77 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' HD11 ' A' ' 35' ' ' LEU . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 110.894 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.319999999999993 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.210000000000001 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 52.130000000000003 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.540000000000006 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 65.129999999999995 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.450000000000003 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG21 ' A' ' 27' ' ' ILE . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.648 ' O ' HG22 ' A' ' 15' ' ' THR . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.319999999999993 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.239999999999995 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.450000000000003 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.168 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 63.25 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 72.099999999999994 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.340000000000003 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.140000000000001 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.510000000000002 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 71.150000000000006 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.210000000000001 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.576 HG21 ' OD1' ' A' ' 11' ' ' ASN . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.010000000000005 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 70.230000000000004 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.239999999999995 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.209999999999994 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.439999999999998 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.519999999999996 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 3' ' ' TYR . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 110.929 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.099999999999994 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.099999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 54.130000000000003 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -29.91 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.409999999999997 110.912 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.310000000000002 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 43.009999999999998 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.981 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 62.509999999999998 110.901 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 60.109999999999999 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.229999999999997 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' OD1' HG21 ' A' ' 27' ' ' ILE . 1.1 t30 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.886 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 15' ' ' THR . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.85 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.150000000000006 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 12' ' ' SER . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 111.109 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.329999999999998 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 72.340000000000003 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.010000000000005 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.099999999999994 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.310000000000002 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.099999999999994 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 52.100000000000001 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.209999999999994 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.109999999999999 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.411 HG21 ' OD1' ' A' ' 11' ' ' ASN . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.109999999999999 111.082 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.399999999999999 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.5 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.120000000000005 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 64.030000000000001 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 3' ' ' TYR . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 52.350000000000001 110.885 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 53.32 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 73.329999999999998 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -69.52 -30.81 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CE2' HD13 ' A' ' 35' ' ' LEU . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 63.350000000000001 110.925 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 65.450000000000003 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.510000000000005 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.549999999999997 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.120000000000005 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB2' HD13 ' A' ' 27' ' ' ILE . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 61.210000000000001 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 15' ' ' THR . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.881 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.109999999999999 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 61.340000000000003 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 12' ' ' SER . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.205 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 40.32 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.129999999999995 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.549999999999997 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.350000000000001 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 71.319999999999993 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.426 ' HG2' HD12 ' A' ' 27' ' ' ILE . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 71.239999999999995 110.905 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.540000000000006 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 23' ' ' MET . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 64.400000000000006 111.112 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.430000000000007 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 62.420000000000002 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.998 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 72.230000000000004 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.998 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.340000000000003 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 70.120000000000005 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD13 ' CE2' ' A' ' 3' ' ' TYR . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.948 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 54.340000000000003 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 74.439999999999998 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.43 -45.03 49.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.030000000000001 110.903 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.430000000000007 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.019999999999996 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.209999999999994 110.917 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 40.240000000000002 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.513 ' OD1' HG23 ' A' ' 27' ' ' ILE . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.349999999999994 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' THR . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 31.030000000000001 110.826 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 64.510000000000005 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.898 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' SER . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.167 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.549999999999997 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' SG ' ' A' ' 14' ' ' CYS . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 65.329999999999998 111.144 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.129999999999995 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.150000000000006 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.319999999999993 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 51.520000000000003 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 72.230000000000004 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 71.219999999999999 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' OD1' ' A' ' 11' ' ' ASN . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 63.210000000000001 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.549999999999997 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.040000000000006 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.519999999999996 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.988 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.319999999999993 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.988 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.349999999999994 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.019999999999996 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.450000000000003 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 61.420000000000002 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.299999999999997 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.040000000000006 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 63.32 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -51.07 -48.91 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 75.200000000000003 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB1' ' A' ' 31' ' ' ALA . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.019999999999996 110.934 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.209999999999994 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.140000000000001 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.450000000000003 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.109999999999999 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.409999999999997 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' HG22 ' A' ' 15' ' ' THR . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.868 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 70.109999999999999 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 44.32 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.142 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 71.219999999999999 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 72.510000000000005 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.010000000000005 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.140000000000001 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.129999999999995 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.099999999999994 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.120000000000005 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.510000000000005 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.120000000000005 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.130000000000003 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.510000000000005 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.150000000000006 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 63.409999999999997 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 54.130000000000003 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.519999999999996 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.019999999999996 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 71.329999999999998 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -39.23 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 70.329999999999998 110.85 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 54.100000000000001 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.399999999999999 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.037 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 62.329999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 27' ' ' ILE . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.633 ' O ' HG22 ' A' ' 15' ' ' THR . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.540000000000006 110.818 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.109999999999999 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 12' ' ' SER . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 54.219999999999999 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 72.430000000000007 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.239999999999995 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.727 ' H ' HG22 ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.150000000000006 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.030000000000001 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.319999999999993 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 72.340000000000003 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 62.149999999999999 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 71.150000000000006 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 64.019999999999996 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 ' OD1' ' A' ' 11' ' ' ASN . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.139 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 61.439999999999998 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.319999999999993 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 54.140000000000001 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 71.310000000000002 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.130000000000003 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.240000000000002 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.439999999999998 110.886 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 73.109999999999999 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.15 -31.6 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.510000000000005 110.883 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.340000000000003 110.874 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.230000000000004 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 55.210000000000001 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.439999999999998 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.200000000000003 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 15' ' ' THR . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.859 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 63.539999999999999 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.019999999999996 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.439999999999998 111.146 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.010000000000005 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.409999999999997 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.319999999999993 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 63.329999999999998 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 51.219999999999999 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 73.049999999999997 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.349999999999994 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 25.440000000000001 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.430000000000007 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.439999999999998 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 61.119999999999997 110.895 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.010000000000005 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.329999999999998 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.409999999999997 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 34.299999999999997 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 3' ' ' TYR . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 62.119999999999997 110.939 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.200000000000003 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.439999999999998 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 50.149999999999999 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.75 -40.38 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 110.899 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 110.932 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 65.299999999999997 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 54.219999999999999 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 110.891 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 54.329999999999998 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.129999999999995 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 61.509999999999998 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 15' ' ' THR . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.450000000000003 110.885 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 12' ' ' SER . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.126 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 62.200000000000003 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 62.409999999999997 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.329999999999998 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.099999999999994 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 55.219999999999999 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 44.109999999999999 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.329999999999998 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 54.530000000000001 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.120000000000005 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.340000000000003 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.25 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.140000000000001 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.319999999999993 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 3' ' ' TYR . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 55.32 110.902 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 40.399999999999999 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 75.219999999999999 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -55.59 -38.02 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.86 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 35' ' ' LEU . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.938 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.349999999999994 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 41.340000000000003 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.420000000000002 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 73.040000000000006 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 60.140000000000001 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' THR . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 65.140000000000001 110.844 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.519999999999996 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 55.119999999999997 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' SER . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.299999999999997 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.826 HG22 ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 73.310000000000002 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 40.140000000000001 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.826 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.140000000000001 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 51.149999999999999 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.340000000000003 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 74.219999999999999 110.896 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 55.439999999999998 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 23' ' ' MET . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.120000000000005 111.135 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 32.240000000000002 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 71.109999999999999 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.976 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.539999999999999 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.976 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 72.109999999999999 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.310000000000002 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.299999999999997 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 3' ' ' TYR . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.099999999999994 110.96 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.030000000000001 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.530000000000001 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -35.88 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.040000000000006 110.897 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HD2' HD21 ' A' ' 35' ' ' LEU . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 60.450000000000003 110.902 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.230000000000004 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.099999999999994 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.926 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.019999999999996 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.420000000000002 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.555 ' OD1' HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 63.240000000000002 110.894 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 15' ' ' THR . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.150000000000006 110.85 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.209999999999994 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 12' ' ' SER . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 111.195 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 72.319999999999993 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 19' ' ' ASP . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 55.549999999999997 111.083 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.430000000000007 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.400000000000006 110.893 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.129999999999995 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 42.520000000000003 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.120000000000005 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 HG21 ' OD1' ' A' ' 11' ' ' ASN . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.340000000000003 111.134 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.109999999999999 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 64.510000000000005 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.329999999999998 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.310000000000002 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 3' ' ' TYR . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 62.310000000000002 110.926 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.230000000000004 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 54.149999999999999 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.049999999999997 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 75.109999999999999 110.864 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -34.87 77.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 110.834 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.239999999999995 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.399999999999999 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 65.310000000000002 110.91 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 61.130000000000003 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.448 ' OD1' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 61.530000000000001 110.864 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 15' ' ' THR . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.219999999999999 110.885 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.140000000000001 111.163 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.420000000000002 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 61.350000000000001 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.420000000000002 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.230000000000004 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.540000000000006 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 21.399999999999999 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.420000000000002 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 70.099999999999994 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 62.539999999999999 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HG21 ' OD1' ' A' ' 11' ' ' ASN . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.143 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.310000000000002 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 60.350000000000001 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.019999999999996 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 60.5 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.409999999999997 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.130000000000003 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 63.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 60.509999999999998 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.5 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 64.01 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.798 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.926 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.22 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 51.54 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.563 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.1 110.896 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 15' ' ' THR . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.21 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 12' ' ' SER . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 64.04 111.138 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 51.11 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.12 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.11 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.12 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.01 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.11 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 64.21 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 53.03 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 65.33 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 65.12 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.563 HG21 ' ND2' ' A' ' 11' ' ' ASN . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.159 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 63.04 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 64.41 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 72.54 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 51.43 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 62.4 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 60.21 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 3' ' ' TYR . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.53 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 72.11 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.075 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.522 ' ND2' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 64.05 110.859 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 15' ' ' THR . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.865 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 71.53 111.179 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.13 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 61.21 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.21 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.1 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 54.43 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 63.43 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 61.45 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' ND2' ' A' ' 11' ' ' ASN . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.4 111.102 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.21 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 52.12 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.075 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 52.52 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.001 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.32 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.42 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 51.21 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 45.53 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.42 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.11 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 35' ' ' LEU . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 51.3 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 41.32 110.936 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 61.51 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.3 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 60.04 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 15' ' ' THR . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.03 110.855 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 12' ' ' SER . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 65.1 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.12 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.12 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.23 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 60.44 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 51.14 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.1 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.12 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.33 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 63.21 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 44.45 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 50.4 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 53.23 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 3' ' ' TYR . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.926 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.31 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.42 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 74.42 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.35 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.93 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 73.22 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.892 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' THR . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.03 110.902 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.15 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 12' ' ' SER . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 64.53 111.116 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.01 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.11 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.2 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.31 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.15 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 60.21 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.14 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.01 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.13 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 HG21 ' ND2' ' A' ' 11' ' ' ASN . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.113 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.13 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 72.32 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 31.52 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 55.51 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.05 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 43.51 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 60.24 110.917 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.2 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.838 0.351 . . . . 75.54 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' OH ' HD21 ' A' ' 35' ' ' LEU . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.43 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 54.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.04 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 32.21 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' THR . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.852 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 12' ' ' SER . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.22 111.143 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 65.42 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 64.42 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 30.3 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.23 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.42 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 55.25 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.42 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.21 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 71.42 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 63.4 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 51.32 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.932 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.12 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.351 . . . . 74.51 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 55.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.69 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 44.42 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.1 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.675 ' O ' HG22 ' A' ' 15' ' ' THR . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.872 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' SER . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.175 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.14 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 63.4 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.54 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.13 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.22 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG2' HD12 ' A' ' 27' ' ' ILE . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 54.12 110.893 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.55 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' A' ' 23' ' ' MET . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.21 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 54.21 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 73.24 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 42.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.996 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.31 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.996 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.33 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.4 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 61.12 110.959 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.21 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 65.44 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 70.23 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 35' ' ' LEU . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.901 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 65.22 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.21 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 15' ' ' THR . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.836 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 12' ' ' SER . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 70.42 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.31 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.23 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.15 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 72.21 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.2 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.534 HG21 ' ND2' ' A' ' 11' ' ' ASN . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 52.42 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.23 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.983 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 64.11 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.4 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.41 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.03 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 3' ' ' TYR . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.42 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.23 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.44 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 64.22 110.863 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' HD12 ' A' ' 35' ' ' LEU . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.936 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.31 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.41 110.829 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' SER . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.15 111.125 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 65.52 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.32 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 60.44 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 70.44 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 52.33 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 63.24 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 60.31 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 51.15 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 54.25 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 61.51 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 54.13 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.23 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 44.33 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 3' ' ' TYR . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.3 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 75.41 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.754 ' CD2' HD23 ' A' ' 35' ' ' LEU . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.944 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 52.43 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 63.03 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 31' ' ' ALA . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' HG22 ' A' ' 15' ' ' THR . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.887 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.32 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.52 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 12' ' ' SER . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.159 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 55.52 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 71.15 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 62.05 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.34 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.15 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' ILE . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.52 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 45.03 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 23' ' ' MET . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.108 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.12 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 71.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.951 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.11 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.951 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 71.03 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 70.15 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 41.3 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.754 HD23 ' CD2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.948 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.13 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.15 110.906 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 60.33 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' A' ' 27' ' ' ILE . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.629 ' O ' HG22 ' A' ' 15' ' ' THR . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 61.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 12' ' ' SER . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 63.44 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.33 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 72.44 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 62.43 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.14 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.41 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.14 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG23 ' OD1' ' A' ' 11' ' ' ASN . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.12 111.132 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.34 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 65.24 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.22 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 53.14 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 43.15 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 53.33 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 31' ' ' ALA . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.52 110.921 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.44 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 65.54 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 52.14 110.931 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.13 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 60.11 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 15' ' ' THR . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 12' ' ' SER . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.197 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 70.14 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 70.34 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.51 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 62.14 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 72.02 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.14 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.51 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.33 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.55 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.34 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.22 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD13 ' OH ' ' A' ' 3' ' ' TYR . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.33 110.903 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.31 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 75.11 110.868 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CD1' HD11 ' A' ' 35' ' ' LEU . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.931 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 3' ' ' TYR . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 61.34 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 60.12 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' HG22 ' A' ' 15' ' ' THR . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.2 110.835 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 12' ' ' SER . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.2 111.124 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.51 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.23 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.33 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.03 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 43.41 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.43 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 61.3 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 61.21 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.4 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 54.01 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 52.44 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.23 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 35.05 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.934 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.55 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 75.45 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' HD21 ' A' ' 35' ' ' LEU . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.921 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.11 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 15' ' ' THR . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.45 110.853 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.874 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' SER . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.106 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.12 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 14' ' ' CYS . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 52.51 111.157 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.03 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 70.43 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.2 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 64.15 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.14 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.33 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.23 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 41.33 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.04 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 64.53 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.35 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.909 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.51 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 72.31 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' A' ' 35' ' ' LEU . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.95 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.31 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 15' ' ' THR . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 60.21 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.35 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 12' ' ' SER . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.124 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.44 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 23.54 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 73.43 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 64.52 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 42.53 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.45 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.03 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 51.11 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 60.51 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 53.21 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.41 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.21 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.51 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.918 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.52 111.184 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.34 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 72.02 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.774 0.321 . . . . 75.32 110.839 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' HD11 ' A' ' 35' ' ' LEU . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.894 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.21 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 52.13 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 65.13 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG21 ' A' ' 27' ' ' ILE . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.648 ' O ' HG22 ' A' ' 15' ' ' THR . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.24 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.168 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 63.25 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 72.1 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.34 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.14 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.51 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 71.15 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.21 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 64.24 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.576 HG21 ' OD1' ' A' ' 11' ' ' ASN . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.01 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 70.23 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.21 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.44 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 3' ' ' TYR . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.12 110.929 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.1 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.81 0.338 . . . . 55.41 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 43.01 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.981 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 62.51 110.901 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 60.11 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.23 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.8 t-20 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.886 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 15' ' ' THR . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.85 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 12' ' ' SER . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.109 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 72.34 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.01 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.1 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 52.1 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.21 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.11 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.572 HG21 ' ND2' ' A' ' 11' ' ' ASN . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.11 111.082 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.4 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.5 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.12 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 64.03 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.04 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 3' ' ' TYR . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 52.35 110.885 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 53.32 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.34 . . . . 75.02 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CE2' HD13 ' A' ' 35' ' ' LEU . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.925 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 65.45 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB2' HD13 ' A' ' 27' ' ' ILE . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 15' ' ' THR . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.881 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.11 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 12' ' ' SER . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.205 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 40.32 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.13 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.55 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.35 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 71.32 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.426 ' HG2' HD12 ' A' ' 27' ' ' ILE . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 71.24 110.905 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.01 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 23' ' ' MET . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.112 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.24 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.998 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 72.23 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.998 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.34 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.21 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 70.12 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD13 ' CE2' ' A' ' 3' ' ' TYR . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.948 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.361 . . . . 73.03 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.01 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.917 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.03 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 40.24 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.23 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.513 ' OD1' HG23 ' A' ' 27' ' ' ILE . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.35 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' THR . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 31.03 110.826 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 64.51 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.898 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' SER . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.41 111.167 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' SG ' ' A' ' 14' ' ' CYS . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 65.33 111.144 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.13 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.32 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 51.52 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 72.23 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' OD1' ' A' ' 11' ' ' ASN . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 63.21 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.55 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.04 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.52 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.988 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.32 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.988 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.35 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.02 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 61.42 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.3 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 75.2 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB1' ' A' ' 31' ' ' ALA . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.934 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.21 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.14 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.14 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.1 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' HG22 ' A' ' 15' ' ' THR . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.868 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 44.32 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.142 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 71.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 72.51 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.01 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.14 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.03 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.13 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.1 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.12 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.51 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.12 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.51 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.15 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 63.41 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 54.13 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.52 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.02 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 70.33 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 54.1 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.4 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.037 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 62.33 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 27' ' ' ILE . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.633 ' O ' HG22 ' A' ' 15' ' ' THR . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.818 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.11 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 12' ' ' SER . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 54.22 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 72.43 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.24 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.727 ' H ' HG22 ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.15 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.03 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.32 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 72.34 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 62.15 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 71.15 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 64.02 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 ' OD1' ' A' ' 11' ' ' ASN . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.139 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 61.44 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.32 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 54.14 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 71.31 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.13 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.24 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.886 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.51 110.883 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.874 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.22 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.23 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 55.21 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.44 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.2 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 15' ' ' THR . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.2 110.859 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 63.54 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.44 111.146 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.41 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.32 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 63.33 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 51.22 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 73.05 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.35 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 25.44 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.44 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 61.12 110.895 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.33 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.41 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 34.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 3' ' ' TYR . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.939 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.2 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.4 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 75.44 110.899 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.932 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 65.3 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 54.22 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.891 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.3 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 54.33 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 15' ' ' THR . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.885 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 12' ' ' SER . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.126 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 62.2 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 62.41 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.33 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 55.22 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 44.11 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.33 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 54.53 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.44 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.34 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.25 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.32 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.14 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.32 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 3' ' ' TYR . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 55.32 110.902 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 40.4 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 73.32 110.86 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 35' ' ' LEU . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.938 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.35 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 41.34 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 73.04 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.43 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 60.14 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' THR . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.844 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 55.12 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' SER . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.3 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.13 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.826 HG22 ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 73.31 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 40.14 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.826 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 51.15 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.34 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 74.22 110.896 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 55.44 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 23' ' ' MET . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.12 111.135 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 32.24 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 71.11 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.976 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.54 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.976 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 72.11 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.3 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 3' ' ' TYR . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.96 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.03 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 75.04 110.897 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HD2' HD21 ' A' ' 35' ' ' LEU . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.902 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.23 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.926 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.705 ' ND2' HG21 ' A' ' 27' ' ' ILE . 4.3 t-20 -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 63.24 110.894 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 15' ' ' THR . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.15 110.85 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 12' ' ' SER . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.4 111.195 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 72.32 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 19' ' ' ASP . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 55.55 111.083 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.43 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.4 110.893 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 42.52 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.33 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.12 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.705 HG21 ' ND2' ' A' ' 11' ' ' ASN . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.134 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.11 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 64.51 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.33 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.31 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 3' ' ' TYR . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 62.31 110.926 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 54.15 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.05 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 74.33 110.834 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.1 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.4 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 65.31 110.91 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 61.13 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.598 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.2 t-20 -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 15' ' ' THR . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.885 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.32 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.14 111.163 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 61.35 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.42 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 21.4 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.42 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 70.1 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 62.54 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.01 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.598 HG21 ' ND2' ' A' ' 11' ' ' ASN . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.143 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.31 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 60.35 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 60.5 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.41 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.13 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 63.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 60.51 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.5 110.879 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 64.12 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -54.24 -28.9 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.881 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.798 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.8 t80 -67.99 -50.96 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.926 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -62.76 -46.45 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.882 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -59.43 -56.25 24.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 43.22 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.7 t -52.9 -53.36 50.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.843 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -45.64 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.911 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -53.59 -66.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.82 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -56.43 -41.57 76.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 51.54 110.85 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.1 t -54.81 -56.39 19.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.897 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.563 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.05 -53.47 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.1 110.896 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 15' ' ' THR . 54.0 p -62.72 -16.68 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 55.21 110.863 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -86.09 -41.75 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.94 -4.31 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.03 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 12' ' ' SER . 11.2 t -64.31 -14.13 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 64.04 111.138 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -75.07 -13.48 60.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 51.11 110.921 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.86 118.49 49.2 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.597 0.713 . . . . 72.12 111.166 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -31.96 19.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 75.11 112.312 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.81 124.82 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.893 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -64.68 -39.98 94.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.12 110.908 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.28 -51.78 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.01 111.077 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.91 -33.7 87.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 75.11 112.495 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.9 ttm -71.22 -46.55 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 64.21 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -42.84 99.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 53.03 110.869 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -42.12 76.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 65.33 111.088 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 t -61.35 -49.61 76.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 65.12 110.872 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.563 HG21 ' ND2' ' A' ' 11' ' ' ASN . 60.0 mt -73.49 -30.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.159 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.8 -30.31 66.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 63.04 112.457 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 tp -98.05 -21.87 16.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.377 . . . . 64.41 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.28 -46.38 90.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.885 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.27 -60.71 9.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 72.54 111.059 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.6 Cg_exo -48.0 -48.52 16.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 51.43 112.335 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.84 81.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 62.4 111.095 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 t -69.13 -42.14 76.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 60.21 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' CD1' ' A' ' 3' ' ' TYR . 16.0 tp -69.96 -36.47 75.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 m -77.68 -28.68 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.177 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.7 t -87.61 -22.92 24.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.812 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 63.53 110.912 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.814 0.34 . . . . 72.41 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -52.49 -29.54 25.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.92 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -68.8 -51.45 40.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.948 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -60.32 -45.07 94.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 70.33 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.99 -50.81 69.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.8 t -52.89 -53.99 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.14 110.908 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.075 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -61.87 -40.31 94.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.966 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -55.48 -70.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.85 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -52.86 -44.76 67.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -54.61 -49.99 69.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.897 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.522 ' ND2' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -58.3 -55.36 36.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 64.05 110.859 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.593 ' O ' HG22 ' A' ' 15' ' ' THR . 28.1 t -63.76 -16.46 61.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.865 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtm-85 -87.76 -39.67 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.14 -5.91 55.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.866 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -63.72 -14.9 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 71.53 111.179 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -75.08 -12.94 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.03 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.1 mm -64.95 113.85 12.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 75.13 111.113 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.93 34.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.694 2.263 . . . . 61.21 112.327 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -83.93 118.93 24.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.21 110.856 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -58.34 -53.61 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.912 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.48 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 72.1 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.97 -46.52 91.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 54.43 112.528 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.2 ttm -62.15 -51.45 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.314 . . . . 63.43 110.864 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -54.96 -43.67 73.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.925 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.06 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 111.1 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.77 -54.7 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 61.45 110.861 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' ND2' ' A' ' 11' ' ' ASN . 42.2 mt -66.75 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.4 111.102 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.02 -35.67 48.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 75.21 112.479 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.2 tp -88.6 -14.33 37.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 52.12 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.3 t -60.79 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.44 110.88 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.075 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -59.56 -60.74 9.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 52.52 111.117 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.001 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -47.97 -48.38 16.46 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 75.32 112.333 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.5 -35.49 75.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 72.42 111.082 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.97 -35.03 77.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tp -79.4 -37.16 37.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 51.21 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.6 m -76.22 -26.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 45.53 111.168 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.0 t -96.64 -24.95 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 70.42 110.868 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.11 110.862 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 64.13 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -57.99 -28.04 64.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.89 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 35' ' ' LEU . 9.5 t80 -68.42 -50.13 54.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -64.23 -47.33 80.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.92 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.99 -44.06 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 51.3 110.917 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 28.7 t -60.66 -59.15 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.91 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 10.1 tp -55.34 -43.45 74.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 41.32 110.936 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -56.85 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 61.51 110.829 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -53.27 -48.74 68.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.3 110.909 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -54.57 -46.55 73.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 60.04 110.927 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.23 -58.47 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.9 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 15' ' ' THR . 75.5 m -64.2 -15.74 60.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 45.03 110.855 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -85.47 -39.38 17.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.856 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.33 -5.32 49.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 70.33 110.89 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 12' ' ' SER . 12.5 t -63.53 -15.04 56.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -74.51 -15.22 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.03 110.884 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -64.83 112.97 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 65.1 111.135 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -25.63 28.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.276 . . . . 64.12 112.352 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.53 129.93 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 70.12 110.881 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -61.9 -73.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.921 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -47.08 70.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.25 111.076 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -50.75 44.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 71.23 112.529 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 ttm -64.55 -36.17 83.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 60.44 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -67.78 -40.21 84.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.852 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.04 77.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 51.14 111.032 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.36 -56.94 7.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 74.1 110.893 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.42 -32.4 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.12 111.154 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.42 -37.37 47.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.744 . . . . 74.33 112.543 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.65 -14.14 40.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 63.21 110.927 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 t -60.78 -45.9 92.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.887 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.61 -60.73 9.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.53 0.681 . . . . 44.45 111.073 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.8 Cg_exo -47.97 -49.15 14.47 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.703 2.268 . . . . 50.4 112.364 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.22 80.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.077 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.91 -37.75 86.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 53.23 110.873 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 3' ' ' TYR . 1.9 tt -73.48 -44.74 57.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 72.43 110.926 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 p -66.4 -36.32 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 65.14 111.148 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.93 -26.09 29.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 45.31 110.9 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 72.42 110.867 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 63.31 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -51.8 -42.04 62.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.857 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.68 -60.85 2.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.91 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.27 -36.12 65.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.94 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.72 -56.48 13.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 71.35 110.897 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.2 -50.83 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.856 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -63.0 -45.35 92.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.93 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 t -53.82 -67.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.797 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.37 -48.62 65.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 73.22 110.919 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -54.32 -45.15 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 63.32 110.87 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -59.66 -58.08 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 63.21 110.892 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 15' ' ' THR . 2.5 m -64.14 -15.62 60.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 64.03 110.902 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -86.42 -40.28 15.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.21 110.848 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -90.61 -7.32 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.15 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 12' ' ' SER . 11.9 t -63.78 -13.18 41.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 64.53 111.116 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -70.82 -10.47 59.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.931 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.18 112.81 36.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.708 . . . . 72.01 111.124 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.52 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.683 2.255 . . . . 74.11 112.343 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.29 119.11 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 62.2 110.875 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.55 -59.59 5.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 71.31 110.9 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.82 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 72.15 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.32 23.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 60.21 112.513 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -54.97 -52.91 61.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.716 0.293 . . . . 74.14 110.875 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -41.87 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.92 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.21 77.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.01 111.126 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -64.81 -56.54 12.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 51.13 110.895 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 HG21 ' ND2' ' A' ' 11' ' ' ASN . 32.8 mt -65.53 -34.73 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.113 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.95 -31.82 66.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 63.13 112.477 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.9 tm? -90.23 -19.93 23.6 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.873 0.368 . . . . 72.32 110.922 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -59.64 -44.78 93.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 31.52 110.851 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.35 -61.12 8.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 55.51 111.094 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.1 Cg_exo -47.96 -49.24 14.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 74.05 112.323 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.34 -51.12 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 43.51 111.099 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 t -63.71 -19.83 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.903 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 ' C ' ' A' ' 31' ' ' ALA . 0.6 OUTLIER -76.95 -57.28 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 60.24 110.917 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -67.08 -26.41 66.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.2 111.144 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -89.06 -30.65 18.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.895 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 74.23 110.887 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.77 0.319 . . . . 71.34 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -54.08 -28.13 37.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 75.54 110.887 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' OH ' HD21 ' A' ' 35' ' ' LEU . 23.5 t80 -66.24 -50.47 63.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.905 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -65.92 -46.23 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.913 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -62.21 -36.46 82.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 72.43 110.845 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -68.34 -59.34 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 54.11 110.868 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.33 -36.96 69.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 p -66.62 -67.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 63.04 110.892 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.83 -39.37 62.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.909 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.7 t -60.14 -52.35 65.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 32.21 110.859 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -57.15 -51.9 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' THR . 33.9 t -66.33 -20.07 65.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 74.22 110.852 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -80.07 -35.96 36.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 73.24 110.825 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.22 -10.71 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.32 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 12' ' ' SER . 4.8 t -63.66 -13.04 39.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.22 111.143 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -69.08 -18.03 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.94 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -65.15 114.01 13.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 65.42 111.151 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -16.84 37.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.248 . . . . 64.42 112.336 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -87.75 123.52 32.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.32 -40.46 97.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.923 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -62.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 30.3 111.087 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.24 -40.91 53.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.23 112.454 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 ttm -64.42 -51.51 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.42 110.85 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -53.72 -46.58 70.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 71.34 110.827 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.86 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.144 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.4 t -62.72 -63.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 55.25 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mt -55.5 -31.09 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.02 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.8 -46.32 68.43 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 64.42 112.455 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 17.2 tp -80.6 -13.53 58.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 74.21 110.943 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.07 -45.02 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.89 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.971 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.18 -60.82 9.29 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.689 . . . . 71.42 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.971 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.0 Cg_exo -47.96 -47.37 19.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 63.4 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -50.71 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 51.32 111.122 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.99 -29.1 70.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -71.32 -45.49 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.932 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 p -76.24 -22.94 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 70.12 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -89.68 -24.66 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.875 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 71.43 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 73.14 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -52.59 -33.31 45.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.37 -53.98 49.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.921 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -61.51 -50.4 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 55.43 110.86 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.36 -36.6 73.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.875 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.1 t -65.27 -55.87 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' CD1' ' HB2' ' A' ' 31' ' ' ALA . 11.4 tp -55.97 -44.05 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 44.42 110.939 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -58.4 -67.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.73 -42.25 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 70.34 110.918 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.4 t -61.12 -42.33 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.1 110.868 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.35 -57.86 10.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.675 ' O ' HG22 ' A' ' 15' ' ' THR . 3.6 p -63.48 -19.35 64.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.872 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.56 -40.18 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -86.76 -12.56 47.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.899 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 12' ' ' SER . 5.3 t -64.13 -12.81 43.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.175 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -70.07 -13.79 62.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 73.14 110.953 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.3 mt -65.23 129.45 94.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 63.4 111.086 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.67 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.741 2.294 . . . . 73.54 112.298 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -83.68 123.59 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 52.13 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -63.88 -39.64 94.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.929 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.05 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 75.22 111.064 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.05 93.56 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 71.0 112.45 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.4 ' HG2' HD12 ' A' ' 27' ' ' ILE . 19.4 ttm -66.96 -40.78 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 54.12 110.893 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -68.45 -47.21 67.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.55 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -36.21 83.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.115 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.7 -59.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 74.12 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.4 HD12 ' HG2' ' A' ' 23' ' ' MET . 52.8 mt -59.4 -31.14 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 62.21 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.19 -50.29 22.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 54.21 112.46 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 tp -77.19 -12.41 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.885 0.374 . . . . 73.24 110.905 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 t -60.45 -45.6 93.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 42.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.996 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.55 -60.63 9.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 71.31 111.091 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.996 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.0 -48.6 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.633 2.222 . . . . 70.33 112.373 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.4 111.088 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.9 -40.62 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 65.5 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -73.26 -35.15 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 61.12 110.959 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -76.37 -38.26 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.21 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -78.14 -30.66 49.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 65.44 110.898 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 73.41 110.829 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.36 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 70.23 110.888 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 35' ' ' LEU . 10.6 t80 -62.39 -57.37 11.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.901 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -57.5 -37.36 72.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 65.22 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -61.72 -58.56 7.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.5 t -54.32 -54.29 42.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.895 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.53 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.983 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -54.02 -68.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 71.02 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -54.51 -36.17 63.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.865 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 t -56.81 -59.37 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 65.43 110.925 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.3 t-20 -57.56 -48.79 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 61.21 110.925 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 15' ' ' THR . 6.3 m -64.44 -18.09 64.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.836 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -37.92 18.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.902 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.5 -3.55 52.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 12' ' ' SER . 12.1 t -64.46 -13.47 51.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.149 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -74.12 -14.7 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.933 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.72 113.36 10.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 70.42 111.128 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.51 36.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.737 2.292 . . . . 73.31 112.317 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.45 120.26 34.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.902 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -58.57 -42.69 88.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.903 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -67.12 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.23 111.109 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.85 -37.44 43.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 73.15 112.477 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.9 ttm -66.45 -49.55 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.775 0.322 . . . . 72.21 110.851 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -42.92 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.876 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -42.51 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 62.2 111.08 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.35 -50.88 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.55 110.847 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.534 HG21 ' ND2' ' A' ' 11' ' ' ASN . 57.1 mt -72.53 -31.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 52.42 111.144 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.49 -31.68 68.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 61.23 112.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 tt -97.2 -20.85 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.823 0.344 . . . . 74.5 110.922 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.8 t -61.12 -47.37 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.89 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.983 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.85 -60.63 9.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 64.11 111.135 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.98 -48.35 16.58 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.677 2.251 . . . . 72.4 112.356 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.07 96.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 63.41 111.132 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.4 t -66.83 -32.41 73.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 55.03 110.871 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 3' ' ' TYR . 10.0 mt -76.09 -37.69 57.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 62.42 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.8 m -76.38 -28.46 56.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 61.23 111.165 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -92.13 -24.28 19.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 71.35 110.846 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 62.44 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 74.43 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -39.19 57.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 64.22 110.863 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' CD1' HD12 ' A' ' 35' ' ' LEU . 13.7 t80 -61.35 -57.35 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.936 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -46.0 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.916 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -64.35 -53.18 52.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 64.14 110.853 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.0 t -52.97 -49.77 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 62.31 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -47.95 82.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.929 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.8 t -56.35 -60.51 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.915 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -53.43 -55.82 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 72.24 110.854 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.86 -41.45 67.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.9 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -57.87 -65.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 15' ' ' THR . 0.7 OUTLIER -62.42 -16.28 54.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 53.41 110.829 -179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.14 -42.75 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.813 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.0 -4.33 52.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 12' ' ' SER . 6.2 t -63.59 -13.5 42.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 60.15 111.125 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.73 -12.0 61.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.936 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -81.26 113.31 40.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.725 . . . . 65.52 111.106 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.28 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 75.32 112.383 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 127.44 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.832 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -63.22 -62.76 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.946 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.95 -52.79 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 60.44 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.87 -52.05 36.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 70.44 112.447 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 ttm -65.54 -34.73 78.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.309 . . . . 52.33 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -66.85 -38.34 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 63.24 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.28 -41.97 63.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 60.31 111.125 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.09 -50.1 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.33 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 55.4 mt -74.88 -30.18 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 73.15 111.103 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.25 -24.4 66.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 51.15 112.516 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -24.24 14.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 54.25 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.8 t -61.51 -43.86 98.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 61.51 110.902 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -60.6 -60.7 9.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.699 . . . . 54.13 111.088 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.7 Cg_exo -47.96 -48.03 17.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 72.23 112.347 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.2 -31.03 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.055 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.7 t -70.6 -38.68 74.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 44.33 110.916 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.71 HD12 ' CD1' ' A' ' 3' ' ' TYR . 4.6 tt -80.65 -32.32 36.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 52.3 110.887 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.7 m -77.91 -29.98 50.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.136 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -97.02 -24.35 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 71.43 110.889 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.823 0.344 . . . . 74.43 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -70.34 -29.93 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.866 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.754 ' CD2' HD23 ' A' ' 35' ' ' LEU . 6.5 t80 -72.0 -52.04 18.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.944 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -67.35 -37.64 83.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 52.43 110.873 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -67.61 -52.22 40.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 63.03 110.854 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 t -59.61 -46.01 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 31' ' ' ALA . 14.2 tp -61.96 -51.1 69.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.933 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -53.32 -56.47 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.24 -56.36 21.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -36.74 63.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -61.76 -63.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.857 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.545 ' O ' HG22 ' A' ' 15' ' ' THR . 17.0 m -65.6 -13.61 59.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.25 110.887 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -85.98 -38.76 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 72.32 110.91 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -94.2 -7.71 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 71.52 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 12' ' ' SER . 8.6 t -63.41 -13.43 39.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.159 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.17 -13.97 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 54.24 110.942 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.1 mt -76.56 119.41 77.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 55.52 111.13 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -22.94 31.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.277 . . . . 71.15 112.325 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.9 115.28 18.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 62.05 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -54.52 -44.06 72.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.927 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.34 -54.48 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.34 111.107 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.78 -43.77 54.53 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 70.15 112.48 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 27' ' ' ILE . 11.3 ttm -71.95 -35.93 69.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.725 0.298 . . . . 73.52 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -66.79 -43.7 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 72.2 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.75 -40.72 69.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 45.03 111.087 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.07 -51.97 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 70.33 110.895 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 23' ' ' MET . 62.7 mt -72.33 -30.69 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.108 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.27 -27.66 63.44 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 72.12 112.472 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -21.01 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 71.13 110.902 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.4 t -61.26 -45.76 93.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.93 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.951 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.49 -60.51 10.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 72.11 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.951 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.2 Cg_exo -48.05 -49.82 13.18 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 71.03 112.343 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.7 82.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 70.15 111.119 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.77 -41.11 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 41.3 110.934 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.754 HD23 ' CD2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -70.52 -44.07 68.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.948 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.1 p -67.19 -30.26 70.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.141 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 m -87.0 -25.7 24.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.857 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 74.01 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -67.77 -34.73 77.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.872 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.61 -57.99 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.926 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -60.68 -40.45 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 71.15 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.11 -37.83 81.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.838 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 t -61.89 -57.84 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.896 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.3 mm? -63.12 -40.11 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.15 110.906 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -57.68 -67.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.872 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -47.94 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 60.33 110.851 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.5 t -54.94 -48.03 73.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' OD1' HG23 ' A' ' 27' ' ' ILE . 3.7 m-20 -57.6 -59.39 5.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.53 110.888 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.629 ' O ' HG22 ' A' ' 15' ' ' THR . 75.7 m -62.76 -16.71 59.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.873 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -83.66 -38.56 21.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.897 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -93.71 -5.17 49.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 61.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 12' ' ' SER . 7.4 t -63.45 -13.13 37.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 63.44 111.136 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -68.48 -18.42 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 73.33 110.959 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.98 113.38 10.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.744 . . . . 72.44 111.121 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.629 2.219 . . . . 62.43 112.349 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.29 126.2 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.867 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.07 -46.6 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.955 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.78 -63.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 42.14 111.093 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.72 -53.95 19.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 73.41 112.53 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttm -59.14 -32.31 69.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.713 0.292 . . . . 71.14 110.856 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -48.06 51.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.926 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.17 82.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.13 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.88 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 71.41 110.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG23 ' OD1' ' A' ' 11' ' ' ASN . 49.9 mt -62.15 -31.84 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 65.12 111.132 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.12 54.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 72.34 112.503 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 15.6 tp -81.22 -14.19 57.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 65.24 110.911 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.45 -45.33 94.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 71.22 110.887 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.27 -60.95 8.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 53.14 111.093 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.0 -48.11 17.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 43.15 112.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.44 -43.76 98.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 53.33 111.117 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 t -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.894 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 31' ' ' ALA . 9.0 mp -71.19 -51.42 24.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 65.52 110.921 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.86 -26.39 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 53.44 111.144 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -86.62 -26.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 55.14 110.853 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.898 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.798 0.332 . . . . 63.1 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -56.27 -31.0 63.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 65.54 110.872 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.617 ' OH ' HD13 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -65.79 -53.68 37.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 52.14 110.931 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -41.88 97.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 71.13 110.907 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.47 -51.97 67.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.7 t -57.09 -57.27 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 71.1 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.38 -50.31 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -52.78 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 60.11 110.874 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -37.24 56.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 74.25 110.94 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.54 -62.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.903 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.17 -47.0 75.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.892 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 15' ' ' THR . 68.7 m -54.91 -26.69 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.862 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -91.16 -32.41 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.4 t -78.09 -16.14 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 12' ' ' SER . 8.4 t -63.73 -13.82 46.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.197 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -72.64 -11.31 60.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.64 113.25 10.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.571 0.701 . . . . 70.14 111.18 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -17.93 37.55 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.679 2.252 . . . . 70.34 112.331 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.81 124.37 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.835 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -57.35 -73.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.945 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.26 71.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 62.51 111.107 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.33 -39.98 74.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 62.14 112.46 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.3 ttm -68.19 -49.42 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.711 0.291 . . . . 72.02 110.868 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.34 -48.04 68.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.835 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.87 -41.59 87.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.14 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t -61.1 -55.46 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.904 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.13 -38.5 79.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.115 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.95 97.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 62.51 112.502 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.32 -13.61 40.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 74.33 110.908 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.28 -48.33 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.895 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.75 -60.56 10.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.52 0.676 . . . . 73.55 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 63.9 Cg_exo -47.96 -46.67 21.24 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 74.34 112.358 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.52 89.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 53.22 111.115 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.94 -35.0 77.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 65.22 110.905 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD13 ' OH ' ' A' ' 3' ' ' TYR . 10.4 tp -67.61 -51.36 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 71.33 110.903 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -69.42 -26.29 64.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.31 111.177 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -84.43 -24.9 29.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.816 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.852 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.34 . . . . 42.41 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -54.83 -41.71 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.868 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.715 ' CD1' HD11 ' A' ' 35' ' ' LEU . 15.5 t80 -53.91 -61.88 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.931 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.917 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.68 -64.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.864 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t -52.97 -44.55 67.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.903 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.565 HD11 ' CZ ' ' A' ' 3' ' ' TYR . 11.8 mt -55.44 -56.56 18.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -52.77 -57.65 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.804 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.87 -54.89 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.911 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.21 -43.05 70.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 61.34 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.98 -64.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 60.12 110.876 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.613 ' O ' HG22 ' A' ' 15' ' ' THR . 4.6 t -62.75 -15.9 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 65.2 110.835 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -80.31 -43.2 21.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.868 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.16 -3.12 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.03 110.903 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 12' ' ' SER . 5.9 t -64.18 -13.04 45.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.2 111.124 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -73.05 -15.49 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.907 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 19' ' ' ASP . 21.2 mm -64.58 113.11 9.5 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 71.51 111.116 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 16.01 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 74.23 112.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 17' ' ' ILE . 9.9 t0 -131.3 123.25 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.853 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -61.52 -40.97 96.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 64.33 110.97 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 64.03 111.058 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.58 55.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 43.41 112.484 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 ttm -70.76 -45.74 64.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 75.43 110.925 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -59.3 -48.99 79.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.52 85.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 61.3 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.77 -47.1 84.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 61.33 110.908 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.2 mt -76.32 -22.03 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 61.21 111.185 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.27 -13.86 59.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 43.4 112.497 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 43.0 tp -104.86 -38.06 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 54.01 110.919 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -61.04 -33.16 72.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.925 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.35 -62.14 5.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.592 0.71 . . . . 52.44 111.125 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -47.94 -47.44 18.96 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.643 2.229 . . . . 74.23 112.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.72 77.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.12 111.107 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -66.42 -34.22 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 35.05 110.89 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' CD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -76.72 -47.62 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.934 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 p -64.67 -35.95 82.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.12 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 p -85.71 -28.42 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.55 110.906 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.865 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 74.31 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -68.52 -34.33 75.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.879 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' HD21 ' A' ' 35' ' ' LEU . 42.7 t80 -65.64 -58.64 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.921 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -61.43 -38.77 88.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.97 -44.44 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.868 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.6 t -58.42 -56.36 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 61.11 110.924 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mt -61.73 -40.59 95.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -58.61 -69.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.869 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -52.74 -37.77 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.908 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 t -57.24 -55.47 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.924 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -49.67 75.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.538 ' O ' HG22 ' A' ' 15' ' ' THR . 26.6 t -67.19 -15.67 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 62.45 110.853 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -91.67 -35.52 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.879 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.6 t -94.07 -5.58 47.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.874 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 12' ' ' SER . 8.9 t -64.0 -12.37 37.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.106 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -72.78 -19.33 61.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 75.12 110.936 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 14' ' ' CYS . 51.6 mt -74.77 114.91 39.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 52.51 111.157 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -17.03 37.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.73 2.287 . . . . 61.03 112.305 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.63 124.28 28.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.912 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.61 -38.89 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 70.43 110.955 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.9 -51.38 33.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 62.2 111.107 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.31 -34.88 91.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.512 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.7 ttm -71.8 -46.21 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 64.15 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.23 -48.02 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.93 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.29 87.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.12 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -60.5 -50.7 72.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -72.55 -25.92 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 75.14 111.171 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.08 67.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.33 112.517 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -102.18 -26.58 13.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 74.23 110.878 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -62.21 -34.68 76.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 41.33 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -69.0 -60.33 4.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.699 . . . . 64.04 111.127 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.4 Cg_exo -47.98 -46.28 22.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 64.53 112.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.12 73.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -65.74 -31.14 71.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.35 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD21 ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -79.58 -45.21 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.909 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -70.59 -24.99 62.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.147 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.3 t -96.97 -26.49 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 63.51 110.855 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.759 0.314 . . . . 43.32 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -51.92 -40.57 60.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.848 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' A' ' 35' ' ' LEU . 13.6 t80 -59.0 -59.59 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.95 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -54.81 -34.62 62.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.893 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.6 -61.35 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.875 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.0 t -52.73 -45.01 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -55.93 -55.19 35.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.5 t -53.06 -58.47 6.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.31 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.26 -53.65 47.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.907 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 t -54.33 -43.51 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.883 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.1 -63.33 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.907 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 15' ' ' THR . 54.3 p -63.97 -15.03 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -82.0 -42.54 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 60.21 110.867 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -93.66 -4.79 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 70.35 110.862 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 12' ' ' SER . 7.0 t -62.44 -14.12 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.124 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.35 -16.19 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.894 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mt -75.09 116.67 56.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.587 0.708 . . . . 73.44 111.181 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.82 34.58 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 23.54 112.351 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -85.34 113.58 21.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -54.25 -42.68 70.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.01 -66.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 73.43 111.1 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.97 -34.17 37.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 33.5 112.466 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.8 ttm -72.01 -37.7 69.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 64.52 110.866 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -66.62 -45.6 78.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.41 -43.34 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 42.53 111.071 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.34 -46.58 89.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 63.45 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.04 -22.44 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.171 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.77 -13.44 62.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 72.03 112.45 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 3.3 tt -105.2 -39.09 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.868 0.365 . . . . 51.11 110.938 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 p -61.0 -32.56 72.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 60.51 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -65.66 -62.39 4.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 53.21 111.106 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.96 -48.58 15.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.256 . . . . 73.41 112.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.25 -50.83 70.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.21 111.088 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.94 -25.91 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.51 110.875 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 36' ' ' THR . 1.0 OUTLIER -71.95 -56.39 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.918 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.517 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 t -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.52 111.184 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.8 t -86.92 -27.32 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 71.34 110.828 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 72.02 110.862 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.835 0.35 . . . . 64.51 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -52.97 -32.77 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' HD11 ' A' ' 35' ' ' LEU . 9.2 t80 -63.55 -54.95 28.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.894 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -60.34 -42.5 95.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 73.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.09 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 63.21 110.891 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 t -57.8 -56.21 24.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 52.13 110.87 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -47.47 77.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -54.84 -68.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 65.13 110.89 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.56 -31.66 37.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.875 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.8 t -66.24 -52.9 43.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 71.45 110.87 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' OD1' HG21 ' A' ' 27' ' ' ILE . 5.9 m-80 -58.33 -44.86 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 64.25 110.866 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.648 ' O ' HG22 ' A' ' 15' ' ' THR . 46.8 m -66.95 -57.75 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.882 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -27.33 47.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 74.24 110.871 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -91.07 -18.25 24.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 55.45 110.878 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -64.23 -12.47 41.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.168 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -18.46 64.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.964 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 19' ' ' ASP . 54.5 mt -66.28 113.39 12.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 63.25 111.152 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 15.83 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.275 . . . . 72.1 112.371 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 17' ' ' ILE . 2.8 t70 -131.12 122.55 26.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 70.34 110.866 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -61.36 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 72.14 110.918 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.099 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.04 -34.25 72.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 24.51 112.52 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.9 ttm -68.97 -53.44 20.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 71.15 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -42.42 73.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.908 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.08 70.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.21 111.073 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -55.5 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 64.24 110.883 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.576 HG21 ' OD1' ' A' ' 11' ' ' ASN . 31.9 mt -69.42 -33.34 56.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 71.01 111.133 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.41 -42.21 99.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.731 . . . . 31.34 112.491 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.78 -17.17 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 70.23 110.928 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 t -61.01 -46.29 91.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.853 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.962 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.52 -60.77 9.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 75.21 111.142 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.962 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 Cg_exo -48.05 -49.47 13.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.657 2.238 . . . . 73.44 112.349 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.52 -35.11 79.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.13 111.118 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.47 -40.89 80.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 3' ' ' TYR . 12.1 mt -69.55 -42.57 74.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 64.12 110.929 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -67.59 -37.92 83.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 70.1 111.143 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -80.79 -24.31 38.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.867 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.867 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.787 0.327 . . . . 54.13 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.73 -29.91 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 55.41 110.912 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -70.22 -52.48 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.25 110.926 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -67.12 -40.15 86.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.31 110.916 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.68 -47.55 78.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.852 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.1 t -62.07 -50.14 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 43.01 110.856 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.981 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.8 mm? -62.93 -51.55 66.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 62.51 110.901 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -53.11 -60.08 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 60.11 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -55.45 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.871 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.78 -35.72 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 62.23 110.856 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.8 t-20 -63.02 -63.92 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.886 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 15' ' ' THR . 77.9 p -64.33 -15.24 59.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.85 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -85.46 -38.81 18.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.15 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.05 -5.2 47.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.904 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 12' ' ' SER . 10.3 t -65.23 -12.31 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.03 111.109 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -74.7 -13.18 60.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.948 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ASP . 19.1 mm -64.5 113.34 10.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 72.34 111.14 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 16.6 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.26 . . . . 64.01 112.337 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.9 t0 -131.32 123.63 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.1 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.05 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.31 110.954 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -62.16 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.1 111.129 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.07 -36.39 61.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 52.1 112.499 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.8 ttm -68.54 -54.49 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 74.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -43.5 69.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.76 82.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.21 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.52 -54.52 35.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 54.11 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.572 HG21 ' ND2' ' A' ' 11' ' ' ASN . 43.1 mt -67.21 -35.07 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.11 111.082 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.87 -25.37 71.91 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 63.4 112.472 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.0 tm? -94.02 -21.58 19.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 71.5 110.934 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.19 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.858 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.01 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.78 -60.9 8.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 63.5 111.1 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.01 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -49.5 13.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 75.12 112.36 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.55 -34.58 76.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 64.03 111.081 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.65 -41.39 83.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.04 110.831 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 3' ' ' TYR . 4.3 mm? -71.53 -41.72 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 52.35 110.885 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -71.05 -29.33 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 53.32 111.097 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 t -87.05 -26.2 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.844 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.11 110.861 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.822 0.344 . . . . 73.33 110.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -69.52 -30.81 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.865 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.761 ' CE2' HD13 ' A' ' 35' ' ' LEU . 6.1 t80 -70.91 -53.02 16.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.925 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -66.43 -37.48 85.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 65.45 110.93 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.23 -53.68 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.871 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.68 -49.76 76.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.31 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.932 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -54.76 -60.97 2.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.25 110.857 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -34.81 76.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.73 -62.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.12 110.894 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' HB2' HD13 ' A' ' 27' ' ' ILE . 9.6 p30 -62.52 -45.03 94.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 61.21 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.573 ' O ' HG22 ' A' ' 15' ' ' THR . 3.5 m -62.01 -17.81 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.881 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.1 mtt-85 -89.75 -42.6 11.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 65.11 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -84.57 -5.02 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 12' ' ' SER . 12.8 t -65.09 -12.05 46.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.205 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -75.24 -11.83 60.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 71.42 110.897 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 19' ' ' ASP . 20.5 mm -64.05 112.65 7.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 40.32 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 17.61 0.2 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.742 2.295 . . . . 72.13 112.349 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.73 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.8 m-20 -131.85 125.53 32.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.55 110.918 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -56.38 -54.72 42.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.947 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.54 -57.41 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.35 111.046 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.17 -39.4 34.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 71.32 112.503 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.426 ' HG2' HD12 ' A' ' 27' ' ' ILE . 14.2 ttm -74.41 -36.96 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 71.24 110.905 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -66.85 -45.84 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.01 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.54 -45.91 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.54 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -58.12 -52.79 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 53.43 110.892 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 23' ' ' MET . 61.2 mt -72.4 -29.67 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.112 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.04 -35.33 90.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 74.43 112.481 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 tp -97.6 -21.7 16.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 74.24 110.875 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.97 -47.36 86.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.881 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.998 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.67 -60.65 9.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 72.23 111.101 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.998 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -48.02 -47.14 20.0 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 63.34 112.349 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.51 -46.88 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.21 111.059 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -65.29 -35.07 79.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 70.12 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD13 ' CE2' ' A' ' 3' ' ' TYR . 31.2 tp -67.48 -41.46 84.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.948 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.0 p -79.69 -24.29 41.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.168 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 t -86.8 -22.55 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 54.34 110.841 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.867 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.789 0.328 . . . . 74.44 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -74.43 -45.03 49.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.903 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.89 -44.69 96.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 75.43 110.944 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.61 -46.44 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.909 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -60.32 -48.03 83.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.1 t -61.64 -56.25 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.01 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.676 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.11 -48.43 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.21 110.917 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.0 t -53.32 -65.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 75.03 110.848 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -37.18 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 40.24 110.879 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.48 -44.09 80.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 73.23 110.823 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.513 ' OD1' HG23 ' A' ' 27' ' ' ILE . 4.4 m-20 -70.31 -51.78 27.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.35 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 15' ' ' THR . 3.1 t -63.51 -15.73 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 31.03 110.826 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -91.71 -39.22 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 64.51 110.875 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 17' ' ' ILE . 1.7 t -91.6 -0.87 57.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.898 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 12' ' ' SER . 9.0 t -68.78 -9.24 49.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.41 111.167 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -79.7 -10.32 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.55 110.926 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.481 HD12 ' SG ' ' A' ' 14' ' ' CYS . 31.0 mt -82.97 112.49 38.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.674 0.749 . . . . 65.33 111.144 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.4 35.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.277 . . . . 74.13 112.381 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.5 124.39 24.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.878 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -60.82 -65.4 0.7 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.906 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.79 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.32 111.07 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.81 -55.56 20.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 51.52 112.502 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.5 ttm -62.83 -39.6 94.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.317 . . . . 72.23 110.891 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -59.09 -56.61 19.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.861 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.16 -35.23 76.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -66.5 -58.13 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.875 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.513 HG23 ' OD1' ' A' ' 11' ' ' ASN . 77.8 mt -60.31 -29.71 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 63.21 111.119 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.71 -25.55 49.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.55 112.494 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 tp -92.43 -14.87 27.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 75.04 110.892 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.95 -42.54 99.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.52 110.861 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.988 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -63.48 -60.26 9.79 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 72.32 111.115 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.988 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.7 Cg_exo -47.98 -51.34 10.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.274 . . . . 72.35 112.332 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.32 88.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 111.106 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.1 t -65.61 -34.59 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 70.02 110.904 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.13 -51.65 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 71.45 110.871 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -35.72 78.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 61.42 111.155 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -82.83 -27.61 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.3 110.874 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.924 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 63.32 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -51.07 -48.91 61.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 75.2 110.867 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.749 ' OH ' ' HB1' ' A' ' 31' ' ' ALA . 3.5 t80 -57.48 -45.31 84.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.02 110.934 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -52.2 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 75.21 110.892 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.19 -43.03 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 63.14 110.843 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.55 -60.18 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 74.14 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mp -56.73 -37.9 71.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -55.86 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.831 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.4 -50.32 74.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.888 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.34 -34.64 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.78 -62.43 1.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.1 110.876 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.578 ' O ' HG22 ' A' ' 15' ' ' THR . 4.9 m -63.94 -12.91 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.23 110.868 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.44 -45.39 11.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 70.11 110.881 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.67 -1.72 56.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 44.32 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -60.96 -16.29 41.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.142 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -69.8 -21.76 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 71.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.9 112.52 8.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.667 0.746 . . . . 72.51 111.094 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.63 21.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.665 2.243 . . . . 73.01 112.39 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -74.1 126.87 31.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 62.14 110.884 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -61.24 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.915 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.51 -59.96 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 73.03 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.17 42.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 74.13 112.462 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -68.31 -35.15 77.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 75.1 110.898 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -67.13 -49.42 64.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.851 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.83 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 61.32 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.09 -60.02 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.903 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.59 -25.07 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.12 111.108 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.7 57.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 75.51 112.458 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 2.2 tt -93.04 -23.58 18.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.351 . . . . 65.12 110.898 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.0 t -60.46 -42.08 95.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 53.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -59.26 -60.98 8.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 73.51 111.106 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.97 -48.22 16.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.15 112.368 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 63.41 111.113 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.8 t -69.43 -36.03 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 54.13 110.844 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.77 -42.44 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.955 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 p -69.83 -31.8 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 72.52 111.148 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 t -91.06 -25.84 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.2 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 64.02 110.843 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 71.33 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -39.23 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 70.33 110.85 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -60.91 -58.3 9.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.922 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -51.69 -44.51 63.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.503 . . . . 54.1 110.928 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.26 -36.74 82.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 61.4 110.875 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.3 t -60.67 -57.61 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.037 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.1 mm? -66.28 -33.92 76.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.916 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 t -59.05 -64.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.884 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.72 -46.24 91.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 62.33 110.872 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 t -54.85 -50.01 69.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.914 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.476 ' OD1' HG23 ' A' ' 27' ' ' ILE . 7.2 m-20 -59.02 -57.22 14.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.9 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.633 ' O ' HG22 ' A' ' 15' ' ' THR . 15.8 m -61.6 -17.81 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.818 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -86.44 -38.08 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -90.49 -5.56 55.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 70.11 110.881 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 12' ' ' SER . 7.2 t -70.17 -8.96 53.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 54.22 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.03 -5.99 59.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.949 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.727 HG22 ' H ' ' A' ' 19' ' ' ASP . 22.3 mm -64.44 114.7 15.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 72.43 111.14 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 18.19 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.695 2.263 . . . . 75.24 112.34 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.727 ' H ' HG22 ' A' ' 17' ' ' ILE . 5.9 t0 -131.72 124.14 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 72.15 110.907 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.39 -39.85 94.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.57 -57.91 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 75.03 111.12 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -32.62 78.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 75.32 112.489 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.3 ttm -71.21 -50.78 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 72.34 110.849 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -43.44 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 62.15 110.884 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.32 79.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 71.15 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -67.43 -55.87 11.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 64.02 110.897 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 HG23 ' OD1' ' A' ' 11' ' ' ASN . 58.2 mt -66.65 -32.27 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.139 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.98 -32.41 56.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 61.44 112.48 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -16.14 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 75.32 110.927 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.5 t -60.88 -47.24 87.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 54.14 110.904 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.037 ' HB2' HD11 ' A' ' 7' ' ' LEU . . . -58.58 -60.77 9.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.53 0.681 . . . . 71.31 111.094 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 65.3 Cg_exo -48.03 -48.59 15.99 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.665 2.243 . . . . 62.13 112.336 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.88 65.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 63.24 111.099 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.42 -41.09 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.85 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -72.48 -35.09 68.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.886 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.9 p -76.52 -40.24 50.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 63.32 111.136 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.3 p -75.88 -30.79 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.865 -179.923 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 73.11 110.893 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.15 -31.6 31.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.883 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.533 ' CE1' HD21 ' A' ' 35' ' ' LEU . 6.5 t80 -65.91 -52.88 46.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.874 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -59.62 -46.48 88.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.22 110.911 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -61.11 -44.74 96.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.23 110.902 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.2 t -58.05 -59.22 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.9 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -44.26 93.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 55.21 110.94 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -58.8 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 44.44 110.846 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -51.77 48.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.894 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -54.57 -39.8 68.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 63.2 110.908 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -72.03 -39.43 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 75.5 110.954 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 15' ' ' THR . 10.0 p -71.14 -25.76 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.2 110.859 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -26.89 23.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 63.54 110.896 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.14 -17.4 24.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 75.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 12' ' ' SER . 13.0 t -64.46 -12.58 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.44 111.146 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -68.34 -13.63 62.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.917 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.9 113.68 19.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.594 0.711 . . . . 61.41 111.131 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.36 35.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 74.32 112.334 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.76 128.65 33.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.882 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -61.4 -68.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.906 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 -50.62 72.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 63.33 111.103 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.31 -45.68 52.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 51.22 112.49 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.4 ttm -66.03 -44.21 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 73.05 110.819 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -49.95 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 74.35 110.848 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 25.44 111.107 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.7 t -57.83 -54.16 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.876 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.13 -43.0 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.43 111.14 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.43 -41.98 88.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 71.44 112.535 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD13 ' O ' ' A' ' 29' ' ' LEU . 2.8 tm? -86.9 -15.96 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 61.12 110.895 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -58.78 -46.81 86.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.873 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.959 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.98 -60.93 8.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 64.33 111.134 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.959 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.4 Cg_exo -48.03 -47.9 17.91 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.658 2.239 . . . . 70.41 112.351 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.51 99.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.134 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.5 t -66.91 -36.39 82.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 34.3 110.867 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 3' ' ' TYR . 9.7 mp -69.4 -39.85 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.939 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -77.47 -27.24 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 75.2 111.137 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -86.51 -23.65 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 75.4 110.894 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.875 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 50.15 110.863 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -51.75 -40.38 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.899 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CZ ' HD13 ' A' ' 35' ' ' LEU . 18.1 t80 -58.87 -59.1 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.932 -179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -51.56 -46.29 63.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 65.3 110.905 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.69 -40.42 96.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 54.22 110.861 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.58 -60.13 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.848 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -60.4 -40.24 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.891 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 m -55.73 -70.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.3 110.872 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.9 -33.91 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 54.33 110.886 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.27 -61.79 2.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 72.13 110.87 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -59.98 -42.36 94.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 61.51 110.859 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.602 ' O ' HG22 ' A' ' 15' ' ' THR . 2.1 t -65.18 -23.91 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.885 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -30.06 16.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.867 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.27 -10.94 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.878 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 12' ' ' SER . 15.1 t -69.39 -9.45 53.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.126 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -80.73 -10.02 59.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 62.2 110.937 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.5 121.5 85.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 62.41 111.128 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.09 27.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.271 . . . . 64.33 112.339 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.83 117.56 16.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.902 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -58.55 -59.04 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.1 110.913 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.17 68.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 55.22 111.131 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -42.41 93.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 44.11 112.51 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 19.4 ttm -67.7 -51.54 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 75.33 110.837 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -59.75 -46.98 87.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.865 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.11 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 54.53 111.1 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.0 -61.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.905 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.7 mt -59.21 -30.15 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 74.44 111.133 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.07 -53.04 7.27 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 43.34 112.513 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -73.37 -12.05 60.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 75.25 110.904 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 t -59.92 -45.72 91.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 71.32 110.872 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.72 -60.64 9.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.543 0.687 . . . . 63.14 111.096 179.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -48.02 -47.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.227 . . . . 75.32 112.357 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.14 78.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 74.25 111.098 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.0 t -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.882 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 3' ' ' TYR . 9.3 tp -69.45 -47.37 64.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 55.32 110.902 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.3 m -69.23 -29.64 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 40.4 111.149 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -83.34 -26.76 30.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.41 110.854 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.859 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.823 0.344 . . . . 75.22 110.865 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -55.59 -38.02 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.86 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 35' ' ' LEU . 3.3 t80 -59.01 -59.96 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 73.45 110.938 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -59.45 -44.54 92.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 73.35 110.918 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -60.32 -37.81 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 41.34 110.857 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.2 t -64.29 -57.51 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.917 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.6 -48.48 79.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.95 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -56.76 -66.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.909 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.35 -37.67 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 73.04 110.919 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.45 -62.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 71.43 110.858 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -65.57 -43.86 88.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 60.14 110.871 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.585 ' O ' HG22 ' A' ' 15' ' ' THR . 13.7 m -60.94 -18.59 57.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.844 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 -46.32 8.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.853 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 t -74.32 -14.23 60.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 55.12 110.895 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 12' ' ' SER . 11.8 t -65.42 -9.3 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 64.3 111.134 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -69.11 -13.74 62.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.13 110.917 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.826 HG22 ' H ' ' A' ' 19' ' ' ASP . 72.8 mt -64.23 120.58 65.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.658 0.742 . . . . 73.31 111.125 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 10.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.682 2.254 . . . . 40.14 112.385 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.826 ' H ' HG22 ' A' ' 17' ' ' ILE . 4.6 m-20 -131.11 115.61 16.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.89 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -54.05 -33.28 56.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 75.41 110.901 -179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.47 -68.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 51.15 111.09 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.66 -31.28 44.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 65.34 112.514 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 17' ' ' ILE . 25.4 ttm -71.56 -50.59 29.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 74.22 110.896 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -42.81 76.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.906 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.48 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 55.44 111.139 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.5 t -57.38 -54.73 43.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.865 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 23' ' ' MET . 46.5 mt -69.02 -27.82 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.12 111.135 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.87 -32.93 78.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 32.24 112.476 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tp -98.49 -26.64 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 71.11 110.896 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.7 t -61.05 -45.56 94.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.862 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.976 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -57.51 -61.28 7.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 62.54 111.092 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.976 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.5 Cg_exo -47.95 -46.6 21.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.672 2.248 . . . . 72.11 112.338 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.02 -52.76 64.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.31 111.097 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.2 t -66.83 -26.14 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.3 110.874 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 3' ' ' TYR . 1.6 mt -65.58 -55.29 18.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.96 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.9 t -74.86 -26.13 59.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.144 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -79.84 -24.84 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 63.03 110.826 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.837 -179.955 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 73.32 110.879 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -35.88 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.04 110.897 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HD2' HD21 ' A' ' 35' ' ' LEU . 55.9 t80 -63.61 -58.13 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.902 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.67 -29.82 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 70.23 110.858 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.09 -57.15 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.871 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 -41.81 72.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.905 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 31' ' ' ALA . 3.9 mm? -69.74 -47.68 62.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.926 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t -53.24 -55.2 26.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.02 110.864 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.6 -42.04 95.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.905 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -55.09 -56.08 23.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 61.42 110.871 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.705 ' ND2' HG21 ' A' ' 27' ' ' ILE . 4.3 t-20 -57.88 -52.86 63.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 63.24 110.894 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 15' ' ' THR . 23.0 m -62.56 -16.81 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.15 110.85 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.84 -42.97 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 72.21 110.898 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.6 t -88.26 -0.6 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 12' ' ' SER . 14.0 t -63.57 -8.72 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 64.4 111.195 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -74.01 -8.14 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 72.32 110.951 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG22 ' H ' ' A' ' 19' ' ' ASP . 56.8 mt -91.21 108.82 31.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.706 0.765 . . . . 55.55 111.083 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.96 22.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 74.43 112.376 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 17' ' ' ILE . 6.5 t0 -87.69 124.24 33.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 65.4 110.893 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -60.96 -41.74 96.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.13 110.918 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -41.95 92.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 42.52 111.05 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.17 -43.48 97.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 74.33 112.445 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 mtm -67.61 -42.29 82.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.343 . . . . 75.12 110.871 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.06 -46.43 89.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.867 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 -48.41 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.34 111.045 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.2 t -61.72 -55.83 26.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.923 -179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.705 HG21 ' ND2' ' A' ' 11' ' ' ASN . 46.9 mt -70.59 -25.97 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.134 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.11 -17.1 67.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 74.11 112.489 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' C ' ' HD2' ' A' ' 32' ' ' PRO . 1.3 tp -102.5 -26.46 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 64.51 110.914 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 p -62.19 -35.01 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.857 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.975 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -68.82 -60.41 4.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 73.33 111.121 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.975 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 64.4 Cg_exo -47.96 -45.34 25.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 73.31 112.354 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.46 69.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 111.116 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.7 t -65.24 -31.98 73.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.859 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 3' ' ' TYR . 3.8 mm? -83.06 -37.12 24.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 62.31 110.926 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.1 m -70.51 -32.68 70.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.121 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -96.99 -27.82 14.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 54.15 110.876 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.05 110.869 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 75.11 110.864 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -34.87 77.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.834 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.08 -55.86 12.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.905 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -62.93 -38.17 89.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.1 110.889 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -68.46 -55.06 13.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 72.24 110.859 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.4 t -54.38 -42.8 70.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 43.4 110.897 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD23 ' HB2' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -70.77 -54.44 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 65.31 110.91 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 85.6 p -53.06 -41.49 64.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.885 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -55.93 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 61.13 110.88 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.75 -32.72 63.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 72.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.598 ' ND2' HG21 ' A' ' 27' ' ' ILE . 3.2 t-20 -68.95 -61.59 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 61.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 15' ' ' THR . 10.7 t -63.55 -15.86 59.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.885 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -89.86 -40.99 12.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.898 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -87.8 -5.32 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 70.32 110.885 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 12' ' ' SER . 14.7 t -64.95 -12.32 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 63.14 111.163 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -72.77 -13.76 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.944 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.713 HG22 ' H ' ' A' ' 19' ' ' ASP . 15.8 mm -64.47 113.32 10.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.613 0.72 . . . . 61.35 111.123 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 13.24 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.69 2.26 . . . . 74.42 112.354 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -131.08 114.02 14.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.847 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -53.49 -42.54 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.89 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.81 -66.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 21.4 111.116 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.07 -40.54 59.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 72.42 112.486 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ttm -61.43 -51.92 66.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.78 0.324 . . . . 70.1 110.894 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -56.16 -42.3 76.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 62.54 110.879 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.38 -43.53 73.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 75.01 111.079 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.99 -55.95 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.894 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.598 HG21 ' ND2' ' A' ' 11' ' ' ASN . 45.6 mt -67.35 -33.5 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.143 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.91 -23.75 73.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 65.31 112.507 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.9 tp -96.28 -20.98 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 60.35 110.959 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 t -61.64 -45.73 92.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.909 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.006 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . . . -58.99 -60.64 9.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.559 0.695 . . . . 60.5 111.112 179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 31' ' ' ALA . 66.3 Cg_exo -48.02 -51.23 10.31 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.238 . . . . 65.41 112.333 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.49 87.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 53.13 111.129 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.2 t -61.97 -29.57 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.897 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -51.5 10.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.917 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -30.51 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 63.25 111.086 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -91.07 -27.9 18.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 60.51 110.848 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 72.5 110.879 -179.936 . . . . . . . . 0 0 . 1 stop_ save_