data_2jqr_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 2jqr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.452 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.446 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.446 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.502 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.572 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.416 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.439 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.701 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.605 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 105' ' ' VAL . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.46 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.46 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.73 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.73 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.447 HG21 HD22 ' B' ' 57' ' ' LEU . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.41 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.632 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' ' HB1' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.442 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.485 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.514 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.563 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.431 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.702 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.632 ' HB2' HE21 ' A' ' 16' ' ' GLN . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.445 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.407 ' HA ' HD22 ' B' ' 67' ' ' LEU . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.702 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.754 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.754 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.436 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.514 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.445 HG21 HD22 ' B' ' 57' ' ' LEU . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.405 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.517 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.447 HG21 ' CE1' ' B' ' 10' ' ' HIS . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.412 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.472 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.607 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.465 HD22 HG21 ' B' ' 105' ' ' VAL . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.607 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.741 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.741 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.465 HG21 HD22 ' B' ' 57' ' ' LEU . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.42 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.514 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.526 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.438 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.49 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.489 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.581 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.581 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.49 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.462 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.462 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.739 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.739 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 57' ' ' LEU . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.515 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.473 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.572 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.4 HG23 HD22 ' B' ' 38' ' ' LEU . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.451 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.48 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.606 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.505 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.464 HD22 HG21 ' B' ' 105' ' ' VAL . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.468 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.468 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.754 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.754 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.423 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.464 HG21 HD22 ' B' ' 57' ' ' LEU . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.505 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.548 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.498 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.43 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.573 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.498 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.702 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.605 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.512 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 105' ' ' VAL . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.702 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.482 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.746 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.746 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 57' ' ' LEU . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.427 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.446 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.496 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.602 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.694 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.462 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.462 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.772 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.772 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 57' ' ' LEU . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.506 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.415 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.524 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.524 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.436 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.42 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.576 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.576 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.436 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.406 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.454 HD22 HG21 ' B' ' 105' ' ' VAL . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.682 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.476 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.759 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.759 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.43 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.454 HG21 HD22 ' B' ' 57' ' ' LEU . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.715 ' HB3' ' HB1' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.443 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.443 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.476 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.434 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.569 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.569 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.444 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.476 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.469 HD22 HG21 ' B' ' 105' ' ' VAL . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.687 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.469 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.469 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.76 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.76 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.436 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.417 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.469 HG21 HD22 ' B' ' 57' ' ' LEU . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . 0.411 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.441 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.441 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.501 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.445 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.577 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . 0.451 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.501 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.701 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.606 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 105' ' ' VAL . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.743 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.743 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.425 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 57' ' ' LEU . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PRO . . . . . 0.517 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.452 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.446 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.446 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.502 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.572 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.416 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.439 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.701 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.605 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.507 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 105' ' ' VAL . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.46 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.46 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.73 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.73 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.427 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.447 HG21 HD22 ' B' ' 57' ' ' LEU . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.41 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.632 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.597 ' HB3' ' HB1' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.426 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.442 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.442 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.485 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.514 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.563 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.431 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.702 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.597 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.632 ' HB2' HE21 ' A' ' 16' ' ' GLN . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.445 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.407 ' HA ' HD22 ' B' ' 67' ' ' LEU . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.702 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.754 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.754 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.436 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.514 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.426 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.445 HG21 HD22 ' B' ' 57' ' ' LEU . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.405 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.517 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.447 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.421 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.447 HG21 ' CE1' ' B' ' 10' ' ' HIS . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.472 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.412 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.472 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.607 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.465 HD22 HG21 ' B' ' 105' ' ' VAL . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.492 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.607 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.741 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.741 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.465 HG21 HD22 ' B' ' 57' ' ' LEU . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.42 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.514 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.438 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.526 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.438 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.49 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.489 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.581 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.581 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.45 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.49 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.437 ' HA2' ' S2 ' ' B' ' 109' ' ' FES . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.456 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.462 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.462 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.739 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.739 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.456 HG21 HD22 ' B' ' 57' ' ' LEU . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.409 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.515 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' FES . . . . . 0.437 ' S2 ' ' HA2' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.48 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.473 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.572 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.572 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.4 HG23 HD22 ' B' ' 38' ' ' LEU . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.451 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.48 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.606 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.505 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.464 HD22 HG21 ' B' ' 105' ' ' VAL . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.68 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.468 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.468 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.754 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.754 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.423 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.464 HG21 HD22 ' B' ' 57' ' ' LEU . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.505 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.548 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.428 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.423 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.498 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.43 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.573 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.437 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.498 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.702 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.605 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.512 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.467 HD22 HG21 ' B' ' 105' ' ' VAL . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.702 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.605 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.482 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.482 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.746 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.746 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.428 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.467 HG21 HD22 ' B' ' 57' ' ' LEU . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.512 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.444 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.496 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.427 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.561 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 28' ' ' SER . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.446 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.496 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.602 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.455 HD22 HG21 ' B' ' 105' ' ' VAL . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' B' ' 67' ' ' LEU . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.694 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.462 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.462 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.772 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.772 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.428 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.419 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.455 HG21 HD22 ' B' ' 57' ' ' LEU . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.416 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.506 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.436 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.415 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.524 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.524 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.436 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.486 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.42 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.576 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.576 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.411 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.436 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.486 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.406 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.509 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.454 HD22 HG21 ' B' ' 105' ' ' VAL . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.682 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.476 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.759 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.759 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.431 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.43 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.454 HG21 HD22 ' B' ' 57' ' ' LEU . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.715 ' HB3' ' HB1' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.443 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.514 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.443 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.476 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.434 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.569 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.569 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.444 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.476 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.687 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.599 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.469 HD22 HG21 ' B' ' 105' ' ' VAL . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.687 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.469 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.469 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.76 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.76 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.436 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.417 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.469 HG21 HD22 ' B' ' 57' ' ' LEU . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . 0.411 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' THR . . . . . 0.864 ' HG1' ' HB3' ' A' ' -2' ' ' PHE . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PHE . . . . . 0.864 ' HB3' ' HG1' ' A' ' -4' ' ' THR . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H ' ' HG1' ' A' ' 96' ' ' THR . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.833 ' HG ' ' H ' ' A' ' 5' ' ' LYS . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.833 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 85' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' HG1' ' ND2' ' A' ' 31' ' ' ASN . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.87 ' HD1' ' H ' ' A' ' 31' ' ' ASN . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.87 ' H ' ' HD1' ' A' ' 26' ' ' HIS . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' HD2' ' CG2' ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 57' ' ' VAL . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 43' ' ' ALA . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.673 ' HG3' HG21 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.673 HG21 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' OE2' HG22 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' OD1' HG12 ' A' ' 57' ' ' VAL 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.476 ' HG ' ' HE ' ' A' ' 91' ' ' ARG . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.56 ' O ' ' NZ ' ' A' ' 86' ' ' LYS . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.646 ' HG3' HMD1 ' A' ' 104' ' ' HEC . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.427 ' HE2' ' C4B' ' A' ' 104' ' ' HEC . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CZ ' HBB2 ' A' ' 104' ' ' HEC . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 9' ' ' LEU . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' THR . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HE ' ' HG ' ' A' ' 65' ' ' SER . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' A' ' 1' ' ' GLY 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.672 ' HZ2' ' HG2' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.672 ' HG2' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.441 ' CE1' HG21 ' B' ' 20' ' ' THR . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.529 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LEU . . . . . 0.43 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.441 HG21 ' CE1' ' B' ' 10' ' ' HIS . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.501 HG22 HD23 ' B' ' 38' ' ' LEU . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.445 ' H ' HG22 ' B' ' 25' ' ' ILE . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' B' ' 31' ' ' ASP . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.577 ' H ' ' HG ' ' B' ' 28' ' ' SER . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 28' ' ' SER . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.451 ' HB2' HD11 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.501 HD23 HG22 ' B' ' 21' ' ' THR . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.701 HD11 ' HG2' ' B' ' 73' ' ' GLU . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.606 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' HIS . . . . . 0.517 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.46 HD22 HG21 ' B' ' 105' ' ' VAL . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' B' ' 67' ' ' LEU . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' B' ' 50' ' ' LEU . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.459 ' HG ' HD22 ' B' ' 84' ' ' LEU . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.459 HD22 ' HG ' ' B' ' 78' ' ' LEU . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.743 ' HG1' ' HG ' ' B' ' 88' ' ' SER . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.743 ' HG ' ' HG1' ' B' ' 85' ' ' THR . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.425 ' HB3' ' SG ' ' B' ' 55' ' ' CYS . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ASP . . . . . 0.422 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . 0.46 HG21 HD22 ' B' ' 57' ' ' LEU . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . 0.517 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HEC . . . . . 0.646 HMD1 ' HG3' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' FES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' B' ' 52' ' ' CYS . 2.3 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.496 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.523 ' C ' ' HG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.424 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.442 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.519 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.523 ' HG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.511 ' HB2' HD13 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.627 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' B' ' 77' ' ' MET . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.434 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.529 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.523 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.523 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' HG3' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' B' ' 95' ' ' SER . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.512 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.616 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.528 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.532 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.509 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.438 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.506 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.624 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.526 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.515 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.622 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.525 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.505 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.422 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.413 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.681 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.497 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.681 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.618 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.631 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' ASP . . . . . 0.466 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.418 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.418 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' B' ' 52' ' ' CYS . 2.3 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.496 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.523 ' C ' ' HG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.424 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.442 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.519 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.61 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.523 ' HG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.416 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.511 ' HB2' HD13 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.417 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.627 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' B' ' 77' ' ' MET . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.434 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.529 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.417 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.523 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.523 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' HG3' ' H ' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' B' ' 95' ' ' SER . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.512 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.436 ' HA2' ' S2 ' ' B' ' 109' ' ' FES . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.616 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.528 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.436 ' S2 ' ' HA2' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.532 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.509 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.413 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.438 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.506 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.624 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.526 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.406 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.515 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.622 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.411 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.525 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.505 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.422 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.413 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.416 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.681 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.497 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.421 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.681 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.618 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.631 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.421 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.4 t30 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.409 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ASP . . . . . 0.466 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' FES . . . . . 0.409 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.496 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.523 ' C ' ' HG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.424 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.442 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.519 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.636 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.523 ' HG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.511 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.511 ' HB2' HD13 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.627 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' B' ' 77' ' ' MET . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.434 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.529 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.523 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.523 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.502 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' B' ' 95' ' ' SER . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.512 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.616 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.528 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.532 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.509 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.51 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.438 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.506 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.624 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.624 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.526 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.515 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.622 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.525 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.505 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.422 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.619 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.413 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.681 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.497 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.681 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.618 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.631 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' ASP . . . . . 0.466 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.734 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.35 40.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 111.271 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.66 134.94 33.56 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.959 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.78 132.9 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -106.99 134.51 50.04 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.041 0.838 . . . . 0.0 109.179 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.7 121.46 41.68 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.149 0.906 . . . . 0.0 108.59 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.82 14.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.5 169.33 16.67 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.694 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -25.33 67.11 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 119.397 0.999 . . . . 0.0 112.685 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.8 p30 -74.17 -14.76 61.0 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.85 0.46 . . . . 0.0 112.197 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.44 48.91 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.26 41.36 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.254 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.23 120.95 35.21 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.414 0.626 . . . . 0.0 110.921 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.97 114.46 27.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 179.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.4 125.59 50.75 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.756 1.285 . . . . 0.0 108.551 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.91 173.23 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.702 0.763 . . . . 0.0 111.343 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.84 47.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.53 25.21 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.14 143.7 28.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.185 0.493 . . . . 0.0 110.813 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 118.214 -1.394 . . . . 0.0 108.348 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.98 -22.67 37.3 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.195 -0.781 . . . . 0.0 112.023 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.25 142.61 54.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 117.508 0.654 . . . . 0.0 109.846 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.71 165.72 23.87 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 117.747 -1.581 . . . . 0.0 108.223 174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.17 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.607 -0.683 . . . . 0.0 111.564 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.37 -42.62 68.23 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 174.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.11 -46.46 68.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.209 173.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.0 -45.41 83.81 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.555 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.07 -43.81 81.55 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.533 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.21 -49.37 62.1 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.17 95.03 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 120.455 -1.403 . . . . 0.0 113.753 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.51 8.77 29.38 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.87 45.31 22.36 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 124.208 1.003 . . . . 0.0 113.373 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.2 140.63 58.77 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.606 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.23 66.61 9.81 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.785 1.279 . . . . 0.0 112.276 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 O-C-N 120.431 -1.418 . . . . 0.0 108.312 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.83 127.09 15.44 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.405 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.39 40.85 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.878 2.18 . . . . 0.0 117.501 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.86 125.87 26.72 Favored 'General case' 0 C--O 1.253 1.281 0 CA-C-N 118.634 1.217 . . . . 0.0 112.301 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.09 20.26 Favored Glycine 0 C--O 1.245 0.823 0 O-C-N 121.349 -0.844 . . . . 0.0 112.621 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.71 21.74 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.28 5.57 26.23 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.289 -1.507 . . . . 0.0 113.46 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.55 44.41 28.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.858 0.837 . . . . 0.0 111.095 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.0 48.0 69.29 Favored Glycine 0 N--CA 1.411 -2.984 0 N-CA-C 119.525 2.57 . . . . 0.0 119.525 175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.89 15.48 13.41 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 119.741 1.77 . . . . 0.0 111.84 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.418 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.19 45.68 14.03 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.49 16.25 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.79 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.893 -178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.54 12.34 12.32 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 116.906 -1.918 . . . . 0.0 110.706 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.3 p -73.28 -15.08 61.42 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.55 15.26 25.56 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 119.101 0.864 . . . . 0.0 111.216 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.97 44.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.199 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -132.19 152.23 51.4 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.421 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.67 119.53 59.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.41 159.8 14.75 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.466 1.104 . . . . 0.0 112.309 -170.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.44 146.14 54.98 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 169.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.76 -43.15 85.25 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.59 67.37 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.962 0.887 . . . . 0.0 111.648 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.87 -51.47 21.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.116 -0.99 . . . . 0.0 109.835 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.62 -44.84 47.59 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.22 17.07 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 119.169 0.895 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.7 35.9 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.689 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.18 141.89 49.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.24 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.51 135.46 14.24 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.719 0.408 . . . . 0.0 110.617 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 119.818 -0.753 . . . . 0.0 110.36 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.88 161.59 17.4 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.386 0.613 . . . . 0.0 109.554 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.64 83.43 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.217 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.81 91.98 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.804 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.408 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.8 -45.85 90.71 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.646 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.73 -39.15 70.72 Favored 'General case' 0 C--O 1.245 0.852 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.42 -38.53 90.17 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.337 -0.852 . . . . 0.0 111.125 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.22 -40.38 52.29 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-O 121.983 0.897 . . . . 0.0 109.445 179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 114.44 -1.254 . . . . 0.0 111.603 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.51 -31.35 34.95 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.248 1.019 . . . . 0.0 113.379 177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -4.24 57.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.75 151.34 47.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 119.129 0.877 . . . . 0.0 111.936 -176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -79.64 146.93 32.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.5 36.79 93.83 Favored Glycine 0 C--O 1.254 1.345 0 N-CA-C 114.409 0.523 . . . . 0.0 114.409 173.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.55 57.94 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 125.509 1.524 . . . . 0.0 112.091 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.57 177.7 6.6 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.53 -4.8 41.91 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.495 1.122 . . . . 0.0 111.593 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.67 30.73 6.57 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.05 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.15 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.66 38.45 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.26 117.11 22.73 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 119.243 -0.983 . . . . 0.0 108.553 171.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.93 60.27 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 116.04 1.176 . . . . 0.0 116.04 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.75 -12.26 57.96 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.153 -1.792 . . . . 0.0 112.052 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.71 -8.73 28.04 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.508 0.723 . . . . 0.0 112.713 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.21 120.35 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.726 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.56 146.68 29.31 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 124.35 1.031 . . . . 0.0 111.364 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.86 135.64 57.43 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.86 167.46 15.78 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.24 -45.65 65.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.188 0.518 . . . . 0.0 111.965 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.46 39.04 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.8 -1.08 57.91 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.445 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.63 130.87 41.86 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 118.117 -1.433 . . . . 0.0 108.811 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 69.66 7.86 6.45 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 125.921 1.688 . . . . 0.0 115.044 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.74 164.1 15.28 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.281 1.038 . . . . 0.0 111.005 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.2 m -122.57 134.5 54.53 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.03 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.53 153.23 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.3 56.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.824 1.328 . . . . 0.0 111.609 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.75 115.34 64.71 Favored Pre-proline 0 C--O 1.178 -2.661 0 CA-C-O 123.612 1.672 . . . . 0.0 107.694 174.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.4 Cg_endo . . . . . 0 C--N 1.375 1.955 0 CA-C-N 111.843 -1.877 . . . . 0.0 113.656 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.418 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.636 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.241 0.656 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -130.05 154.38 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 121.247 0.546 . . . . 0.0 111.198 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -87.69 134.93 33.57 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.996 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.73 132.91 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.54 50.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.071 0.857 . . . . 0.0 109.157 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.77 121.45 41.61 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -88.3 104.76 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 171.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.49 169.32 16.67 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.685 -175.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -25.34 67.1 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 119.425 1.011 . . . . 0.0 112.652 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.16 -14.74 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.844 0.458 . . . . 0.0 112.163 176.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.44 48.96 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.41 140.28 41.27 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.264 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.31 121.01 35.38 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 121.462 0.648 . . . . 0.0 110.918 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.01 114.47 27.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.259 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.56 50.71 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.8 1.312 . . . . 0.0 108.532 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -148.9 173.2 13.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.655 0.74 . . . . 0.0 111.358 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.65 144.87 47.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.987 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.4 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.486 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.496 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.12 143.69 28.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.221 0.51 . . . . 0.0 110.813 179.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.35 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 118.251 -1.38 . . . . 0.0 108.338 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.523 ' C ' ' HG ' ' B' ' 95' ' ' SER . . . 101.97 -22.69 37.25 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.03 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.32 142.65 53.99 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 117.499 0.65 . . . . 0.0 109.815 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.424 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.87 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 117.759 -1.576 . . . . 0.0 108.189 174.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.11 63.24 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.607 -0.683 . . . . 0.0 111.521 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.4 -42.61 68.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.13 -46.42 68.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.234 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.442 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.04 -45.33 83.96 Favored 'Isoleucine or valine' 0 C--O 1.245 0.861 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.568 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.17 -43.83 81.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.501 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.31 62.77 Favored 'Isoleucine or valine' 0 C--O 1.252 1.235 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.07 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 120.458 -1.401 . . . . 0.0 113.792 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.507 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.86 29.06 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -176.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.84 45.35 22.22 Favored 'General case' 0 N--CA 1.434 -1.255 0 C-N-CA 124.171 0.988 . . . . 0.0 113.35 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.63 58.78 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.596 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.66 9.82 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 122.807 1.289 . . . . 0.0 112.241 -175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.69 105.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 O-C-N 120.45 -1.406 . . . . 0.0 108.334 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -49.73 127.09 15.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.393 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.74 0.32 40.35 Favored Glycine 0 N--CA 1.413 -2.897 0 C-N-CA 126.869 2.176 . . . . 0.0 117.523 174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.82 125.93 26.9 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 118.641 1.22 . . . . 0.0 112.252 -170.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.06 20.5 Favored Glycine 0 C--O 1.245 0.833 0 O-C-N 121.362 -0.836 . . . . 0.0 112.666 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.7 22.23 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.22 5.58 25.97 Favored 'General case' 0 C--O 1.243 0.76 0 O-C-N 120.26 -1.525 . . . . 0.0 113.49 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.53 44.41 28.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.89 0.852 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.9 48.07 69.32 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.54 13.39 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.684 1.742 . . . . 0.0 111.83 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.5 mt 59.13 45.68 14.2 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.519 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.3 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.302 0.572 . . . . 0.0 109.966 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.636 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.8 p -153.8 170.94 19.73 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.805 -1.158 . . . . 0.0 109.876 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.55 12.4 12.33 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 116.947 -1.901 . . . . 0.0 110.738 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.2 p -73.29 -15.09 61.41 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -171.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.65 15.32 25.54 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 119.036 0.834 . . . . 0.0 111.207 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.49 129.99 44.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.226 176.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.18 152.22 51.4 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.9 mt -110.67 119.46 59.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.36 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.49 1.118 . . . . 0.0 112.297 -170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.14 54.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.79 -43.12 85.38 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.24 -28.57 67.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.01 0.909 . . . . 0.0 111.637 -175.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.86 -51.55 21.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.05 -1.031 . . . . 0.0 109.788 172.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.85 47.16 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.56 -11.49 60.88 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -173.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.15 17.06 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 119.23 0.923 . . . . 0.0 111.761 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.75 157.75 35.89 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.081 -0.647 . . . . 0.0 109.715 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.23 141.88 49.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.278 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.4 14.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.733 0.413 . . . . 0.0 110.654 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 119.849 -0.74 . . . . 0.0 110.335 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.85 161.63 17.41 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.364 0.602 . . . . 0.0 109.606 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -62.67 -36.68 83.65 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.181 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.75 92.2 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.833 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.93 90.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.68 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.68 -39.17 70.61 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.49 -38.46 89.82 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 121.372 -0.83 . . . . 0.0 111.132 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.61 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.27 -40.32 52.07 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-O 121.959 0.885 . . . . 0.0 109.473 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.51 -34.44 77.79 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.588 -178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -52.48 -31.42 34.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 124.204 1.002 . . . . 0.0 113.355 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.23 57.38 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.73 151.4 47.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 119.141 0.882 . . . . 0.0 111.976 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -79.65 146.93 32.22 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.46 36.82 93.89 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.452 0.541 . . . . 0.0 114.452 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.37 138.52 57.96 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 125.539 1.536 . . . . 0.0 112.068 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.51 177.78 6.53 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.6 -4.8 42.11 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 124.454 1.096 . . . . 0.0 111.605 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.68 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.006 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.47 139.16 32.14 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.39 161.66 38.43 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.14 22.74 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.27 -0.972 . . . . 0.0 108.551 171.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.77 -31.02 60.4 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 115.993 1.157 . . . . 0.0 115.993 -174.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.69 -12.26 57.63 Favored 'General case' 0 C--O 1.247 0.969 0 O-C-N 120.135 -1.803 . . . . 0.0 112.04 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -97.74 -8.66 28.13 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 123.506 0.722 . . . . 0.0 112.718 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.32 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 119.987 -0.685 . . . . 0.0 109.742 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.523 ' HG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.66 29.34 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 124.361 1.038 . . . . 0.0 111.375 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.83 135.66 57.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -173.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.88 167.44 15.83 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.71 65.31 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.089 0.471 . . . . 0.0 111.917 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.4 39.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.85 -1.11 57.93 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.65 130.89 41.99 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 118.122 -1.431 . . . . 0.0 108.771 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.64 7.87 6.45 Favored 'General case' 0 N--CA 1.425 -1.681 0 C-N-CA 125.869 1.668 . . . . 0.0 115.054 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.12 15.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.304 1.049 . . . . 0.0 110.976 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.59 134.52 54.52 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.048 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.59 153.26 19.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.32 56.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.864 1.353 . . . . 0.0 111.583 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.32 64.69 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.657 1.694 . . . . 0.0 107.714 174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.953 0 CA-C-N 111.823 -1.885 . . . . 0.0 113.666 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.416 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.722 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.263 0.554 . . . . 0.0 111.227 -178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.2 m -87.66 134.95 33.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.995 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.76 132.94 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.01 134.52 50.04 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.074 0.859 . . . . 0.0 109.133 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.5 m-85 -116.74 121.51 41.81 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 124.114 0.884 . . . . 0.0 108.621 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.6 mt -88.31 104.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.51 169.22 16.9 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.726 -175.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.27 67.1 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.43 1.014 . . . . 0.0 112.715 -177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.17 -14.73 60.99 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.861 0.464 . . . . 0.0 112.223 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.44 -9.38 49.06 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.35 140.29 41.36 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.3 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.29 120.97 35.3 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.428 0.632 . . . . 0.0 110.925 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.449 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.11 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -104.34 125.55 50.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 124.813 1.32 . . . . 0.0 108.547 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.88 173.24 13.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.731 0.777 . . . . 0.0 111.317 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.59 144.89 47.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.006 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.537 1.468 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.511 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.06 143.7 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.162 0.481 . . . . 0.0 110.835 179.075 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.32 135.36 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 118.244 -1.383 . . . . 0.0 108.367 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.6 37.67 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.997 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.35 142.61 53.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 117.54 0.67 . . . . 0.0 109.842 177.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.439 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.68 23.92 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 117.768 -1.573 . . . . 0.0 108.188 174.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.89 -24.22 63.37 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.666 -0.646 . . . . 0.0 111.541 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.2 tp -71.39 -42.54 68.25 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.18 -46.44 68.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.205 173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.99 -45.38 83.75 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.562 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.16 -43.83 81.28 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 C-N-CA 119.598 -0.841 . . . . 0.0 110.508 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.67 Favored 'Isoleucine or valine' 0 C--O 1.253 1.284 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.21 95.18 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 120.417 -1.427 . . . . 0.0 113.717 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.511 ' HB2' HD13 ' B' ' 38' ' ' LEU . 45.9 m-20 -89.5 8.75 29.45 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.91 45.26 22.5 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 124.184 0.993 . . . . 0.0 113.384 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.68 58.83 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.624 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.37 66.67 9.81 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.852 1.311 . . . . 0.0 112.212 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.19 18.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.361 -1.462 . . . . 0.0 108.287 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.74 127.04 15.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.4 -174.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.79 0.39 41.18 Favored Glycine 0 N--CA 1.413 -2.883 0 C-N-CA 126.909 2.195 . . . . 0.0 117.444 174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.86 26.7 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 118.696 1.248 . . . . 0.0 112.298 -170.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.6 28.07 20.32 Favored Glycine 0 C--O 1.245 0.815 0 O-C-N 121.398 -0.814 . . . . 0.0 112.616 174.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.83 -51.77 21.51 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.84 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.305 -1.497 . . . . 0.0 113.462 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.49 44.39 28.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.924 0.869 . . . . 0.0 111.17 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.06 69.18 Favored Glycine 0 N--CA 1.412 -2.944 0 N-CA-C 119.546 2.579 . . . . 0.0 119.546 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.48 13.4 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.682 1.741 . . . . 0.0 111.803 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.417 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.21 45.66 14.0 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.27 7.63 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.285 0.564 . . . . 0.0 109.983 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 170.98 19.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.915 -178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.5 12.33 12.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 116.988 -1.885 . . . . 0.0 110.751 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.23 -15.13 61.44 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.54 15.26 25.53 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 119.064 0.847 . . . . 0.0 111.279 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.97 44.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.197 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.13 152.2 51.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 61.0 mt -110.65 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -99.38 159.79 14.75 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.451 1.094 . . . . 0.0 112.307 -170.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.45 146.11 55.03 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 169.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.7 -43.17 84.97 Favored 'General case' 0 C--O 1.254 1.31 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.54 67.33 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 121.933 0.873 . . . . 0.0 111.659 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.96 -51.43 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 121.158 -0.964 . . . . 0.0 109.787 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.67 -44.81 48.1 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 119.174 0.897 . . . . 0.0 111.811 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.7 35.92 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.657 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.86 49.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.265 178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.45 14.13 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.704 0.402 . . . . 0.0 110.641 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.46 138.08 22.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.307 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.83 161.58 17.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.356 0.598 . . . . 0.0 109.595 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.62 -36.65 83.47 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.02 -45.76 92.17 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.833 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.79 -45.87 90.64 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.922 -1.111 . . . . 0.0 110.67 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -55.62 -39.16 70.43 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.53 90.12 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.318 -0.864 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.627 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.34 51.96 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 122.011 0.91 . . . . 0.0 109.443 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.41 77.71 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.623 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.58 -31.35 35.73 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.27 1.028 . . . . 0.0 113.324 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.18 -4.25 57.37 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.37 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.119 0.872 . . . . 0.0 111.968 -176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.86 32.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.8 93.83 Favored Glycine 0 C--O 1.254 1.399 0 N-CA-C 114.409 0.524 . . . . 0.0 114.409 173.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.42 138.54 57.98 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 125.523 1.529 . . . . 0.0 112.072 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.53 177.71 6.58 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.85 42.27 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.512 1.132 . . . . 0.0 111.566 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.61 30.72 6.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.06 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.1 m -95.4 139.18 32.06 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.48 161.66 38.51 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 172.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' B' ' 77' ' ' MET . 84.0 mt -83.26 117.16 22.78 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 119.252 -0.979 . . . . 0.0 108.544 171.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -30.87 60.49 Favored Glycine 0 C--O 1.253 1.311 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.7 -12.36 58.11 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 120.126 -1.808 . . . . 0.0 112.039 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.72 -8.62 28.26 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 123.506 0.723 . . . . 0.0 112.689 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.29 120.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 119.953 -0.699 . . . . 0.0 109.717 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.1 t -105.5 146.7 29.21 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 124.301 1.0 . . . . 0.0 111.384 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.92 135.66 57.43 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -173.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.89 167.46 15.8 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.63 65.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 111.959 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.35 39.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.84 -1.16 57.95 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.441 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.62 130.9 41.88 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.824 177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 69.66 7.81 6.42 Favored 'General case' 0 N--CA 1.425 -1.677 0 C-N-CA 125.891 1.676 . . . . 0.0 115.056 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.18 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.327 1.061 . . . . 0.0 111.002 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.0 m -122.63 134.54 54.5 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.02 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.59 153.27 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.434 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.36 56.11 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 124.822 1.326 . . . . 0.0 111.604 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.73 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.646 0 CA-C-O 123.56 1.648 . . . . 0.0 107.736 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.529 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.3 Cg_endo . . . . . 0 C--N 1.375 1.931 0 CA-C-N 111.895 -1.859 . . . . 0.0 113.658 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.417 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.746 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.96 154.39 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.261 0.553 . . . . 0.0 111.205 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.94 33.57 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.93 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.76 133.0 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 175.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.08 134.57 50.01 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.047 0.842 . . . . 0.0 109.095 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 34.0 m-85 -116.78 121.48 41.68 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 124.143 0.902 . . . . 0.0 108.575 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.79 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 171.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.523 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.72 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.706 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.3 67.08 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 119.443 1.019 . . . . 0.0 112.669 -177.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.523 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.0 p30 -74.18 -14.76 61.0 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 122.861 0.464 . . . . 0.0 112.176 176.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.49 -9.4 48.86 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.29 41.24 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.26 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.91 35.17 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.424 0.63 . . . . 0.0 110.902 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.465 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.96 114.49 27.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.38 125.63 50.76 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.722 1.264 . . . . 0.0 108.531 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.366 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.9 47.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.984 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.49 25.23 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 108.882 -1.687 . . . . 0.0 108.882 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.502 ' H ' ' HG3' ' B' ' 24' ' ' LYS . 0.0 OUTLIER -98.1 143.71 28.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.173 0.486 . . . . 0.0 110.823 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.41 135.36 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.293 -1.363 . . . . 0.0 108.302 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.513 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.63 37.5 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-O 119.189 -0.784 . . . . 0.0 111.978 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.68 54.04 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.537 0.669 . . . . 0.0 109.827 178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' B' ' 95' ' ' SER . 4.6 p -77.73 165.72 23.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 117.774 -1.571 . . . . 0.0 108.184 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.96 -24.12 63.29 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.672 -0.642 . . . . 0.0 111.555 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.46 -42.6 67.94 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.41 68.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.234 173.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.04 -45.35 83.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.547 177.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.17 -43.82 81.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.497 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.3 t -69.11 -49.4 62.47 Favored 'Isoleucine or valine' 0 C--O 1.252 1.234 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.11 -40.17 95.01 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 120.474 -1.391 . . . . 0.0 113.719 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.512 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.57 8.84 29.2 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -176.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.91 45.28 22.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 C-N-CA 124.148 0.979 . . . . 0.0 113.374 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.512 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.17 140.63 58.79 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.667 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.24 66.57 9.79 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.768 1.27 . . . . 0.0 112.239 -175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.64 105.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 120.41 -1.431 . . . . 0.0 108.327 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -49.75 127.02 15.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.448 -174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.83 0.34 41.16 Favored Glycine 0 N--CA 1.412 -2.927 0 C-N-CA 126.909 2.195 . . . . 0.0 117.495 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.8 125.86 26.68 Favored 'General case' 0 C--O 1.253 1.265 0 CA-C-N 118.647 1.223 . . . . 0.0 112.3 -170.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.436 ' HA2' ' S2 ' ' B' ' 109' ' ' FES . . . 89.56 28.13 20.23 Favored Glycine 0 C--O 1.245 0.824 0 O-C-N 121.412 -0.805 . . . . 0.0 112.623 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.71 22.34 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.24 5.58 26.02 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 120.303 -1.498 . . . . 0.0 113.47 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.56 44.37 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.897 0.856 . . . . 0.0 111.131 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.95 48.05 69.24 Favored Glycine 0 N--CA 1.412 -2.936 0 N-CA-C 119.535 2.574 . . . . 0.0 119.535 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.92 15.55 13.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.767 1.783 . . . . 0.0 111.84 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt 59.15 45.68 14.13 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 109.961 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.613 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.71 171.0 19.54 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.901 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.58 12.42 12.3 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 116.919 -1.913 . . . . 0.0 110.756 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.12 61.43 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -171.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.29 25.6 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 119.058 0.845 . . . . 0.0 111.223 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.46 129.98 44.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.206 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.16 152.26 51.36 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.68 119.5 59.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.202 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.39 159.72 14.8 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.493 1.121 . . . . 0.0 112.34 -170.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.34 146.11 54.95 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.81 -43.05 85.46 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.53 67.23 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 119.137 0.881 . . . . 0.0 111.591 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.93 -51.5 21.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 O-C-N 121.119 -0.988 . . . . 0.0 109.793 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.57 -44.9 47.13 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.52 -11.57 60.94 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.89 13.28 17.06 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 119.207 0.912 . . . . 0.0 111.797 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.85 157.74 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.705 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.21 141.78 49.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.42 135.46 13.95 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.748 0.419 . . . . 0.0 110.663 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.45 138.11 21.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.259 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.9 161.6 17.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 109.573 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.64 -36.6 83.35 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.229 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.02 -45.83 91.86 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.805 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.412 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.91 90.49 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.961 -1.096 . . . . 0.0 110.651 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.11 70.43 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.46 -38.48 89.94 Favored 'General case' 0 C--O 1.223 -0.297 0 O-C-N 121.337 -0.852 . . . . 0.0 111.163 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.616 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.28 51.88 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 121.976 0.893 . . . . 0.0 109.475 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.54 -34.36 77.63 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.626 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.57 -31.36 35.72 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.231 1.013 . . . . 0.0 113.347 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -4.23 57.39 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.72 151.37 47.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 119.156 0.889 . . . . 0.0 111.944 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.65 146.94 32.21 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.57 36.75 93.77 Favored Glycine 0 C--O 1.254 1.362 0 N-CA-C 114.401 0.521 . . . . 0.0 114.401 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.31 138.58 57.93 Favored 'General case' 0 C--N 1.308 -1.209 0 C-N-CA 125.516 1.527 . . . . 0.0 112.06 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.62 177.74 6.58 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.56 -4.83 42.14 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 124.518 1.136 . . . . 0.0 111.589 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.66 30.82 6.53 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.036 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.52 139.18 32.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.45 161.61 38.61 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.19 117.09 22.68 Favored 'General case' 0 C--O 1.244 0.788 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.628 171.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.76 -30.92 60.24 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.041 1.176 . . . . 0.0 116.041 -173.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.7 -12.27 57.77 Favored 'General case' 0 C--O 1.247 0.973 0 O-C-N 120.119 -1.813 . . . . 0.0 112.087 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.78 -8.66 28.03 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 123.476 0.711 . . . . 0.0 112.649 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.21 120.29 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.718 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.513 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.52 146.71 29.22 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.325 1.016 . . . . 0.0 111.411 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.83 135.6 57.42 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.7 p -126.85 167.45 15.8 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.26 -45.55 65.44 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.042 0.449 . . . . 0.0 111.941 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.72 -15.39 40.14 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.84 -1.12 57.93 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.64 130.85 41.78 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 118.149 -1.42 . . . . 0.0 108.797 177.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.72 7.83 6.42 Favored 'General case' 0 N--CA 1.425 -1.682 0 C-N-CA 125.911 1.685 . . . . 0.0 115.048 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.14 15.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.259 1.028 . . . . 0.0 111.04 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.6 m -122.59 134.49 54.52 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.009 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.58 153.29 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.43 133.31 56.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.878 1.361 . . . . 0.0 111.583 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.67 115.35 64.7 Favored Pre-proline 0 C--O 1.18 -2.604 0 CA-C-O 123.6 1.667 . . . . 0.0 107.73 174.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.528 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.915 0 CA-C-N 111.856 -1.873 . . . . 0.0 113.645 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.436 ' S2 ' ' HA2' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.4 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.671 0 N-CA-C 110.475 -0.194 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.03 154.4 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.291 0.567 . . . . 0.0 111.185 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.73 134.96 33.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -129.76 132.95 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.03 134.52 50.04 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.034 0.834 . . . . 0.0 109.177 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.456 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.2 m-85 -116.75 121.46 41.65 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.28 104.77 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.532 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.27 16.77 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.732 -175.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -25.26 67.06 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 119.4 1.0 . . . . 0.0 112.676 -177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.532 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.2 p30 -74.18 -14.72 60.99 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.892 0.477 . . . . 0.0 112.184 176.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.48 -9.45 48.96 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.28 41.34 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.306 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 120.99 35.33 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.457 0.646 . . . . 0.0 110.929 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.02 114.44 27.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.36 125.6 50.73 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.734 1.271 . . . . 0.0 108.536 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.92 173.24 13.53 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.782 0.801 . . . . 0.0 111.274 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.57 144.89 47.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.021 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.43 165.44 25.24 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.905 -1.678 . . . . 0.0 108.905 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.1 143.66 28.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.188 0.494 . . . . 0.0 110.844 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.38 135.39 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 118.232 -1.387 . . . . 0.0 108.331 178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.516 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.66 37.44 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-O 119.243 -0.754 . . . . 0.0 112.034 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.65 54.03 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.515 0.657 . . . . 0.0 109.831 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.69 165.75 23.84 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.776 -1.57 . . . . 0.0 108.21 174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.97 -24.19 63.29 Favored 'General case' 0 CA--C 1.514 -0.415 0 O-C-N 121.625 -0.672 . . . . 0.0 111.574 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.39 -42.57 68.22 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -53.2 -46.39 69.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.2 173.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.06 -45.38 84.04 Favored 'Isoleucine or valine' 0 C--O 1.246 0.877 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.508 177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.09 -43.89 81.43 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.51 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.13 -49.37 62.6 Favored 'Isoleucine or valine' 0 C--O 1.253 1.254 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 120.456 -1.403 . . . . 0.0 113.715 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.509 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.5 8.8 29.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 48.88 45.26 22.41 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 124.158 0.983 . . . . 0.0 113.393 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.15 140.7 58.81 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.615 178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 66.56 9.77 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 122.797 1.284 . . . . 0.0 112.222 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.65 105.29 18.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.399 -1.438 . . . . 0.0 108.286 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.83 127.08 15.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.333 -174.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.78 0.38 41.0 Favored Glycine 0 N--CA 1.412 -2.915 0 C-N-CA 126.862 2.172 . . . . 0.0 117.493 174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.89 125.89 26.8 Favored 'General case' 0 C--O 1.253 1.259 0 CA-C-N 118.637 1.219 . . . . 0.0 112.275 -170.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.15 20.12 Favored Glycine 0 C--O 1.245 0.836 0 O-C-N 121.346 -0.847 . . . . 0.0 112.656 174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.0 -51.67 22.99 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.23 5.56 26.11 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 120.309 -1.495 . . . . 0.0 113.439 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.56 44.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.903 0.859 . . . . 0.0 111.16 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.02 47.99 69.25 Favored Glycine 0 N--CA 1.411 -3.02 0 N-CA-C 119.53 2.572 . . . . 0.0 119.53 175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.88 15.54 13.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 119.738 1.769 . . . . 0.0 111.853 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.3 mt 59.14 45.71 14.12 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.26 7.64 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.301 0.572 . . . . 0.0 110.008 176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.75 170.97 19.64 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.906 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.6 p -119.51 12.37 12.35 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 116.917 -1.913 . . . . 0.0 110.751 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.25 -15.07 61.43 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.5 p -98.64 15.34 25.47 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.999 0.818 . . . . 0.0 111.226 -179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.51 129.99 44.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.25 176.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 mt -132.2 152.2 51.42 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.9 mt -110.66 119.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.76 14.77 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.454 1.096 . . . . 0.0 112.319 -170.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.43 146.15 54.95 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.82 -43.08 85.53 Favored 'General case' 0 C--O 1.254 1.309 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -68.31 -28.48 67.2 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 119.176 0.898 . . . . 0.0 111.639 -175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.93 -51.46 21.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.12 -0.987 . . . . 0.0 109.825 172.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.89 47.14 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.49 -11.54 60.92 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -173.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.17 17.06 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 119.222 0.919 . . . . 0.0 111.753 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 92.0 mt -73.77 157.72 35.93 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.692 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.2 141.81 49.41 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.26 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.41 135.39 14.01 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.794 0.438 . . . . 0.0 110.659 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.09 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.336 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.7 p -87.92 161.59 17.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.374 0.607 . . . . 0.0 109.559 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.59 -36.64 83.35 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.275 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -62.0 -45.8 92.02 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.848 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.77 -45.9 90.52 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.665 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.06 70.53 Favored 'General case' 0 C--O 1.245 0.828 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -65.54 -38.46 89.7 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.322 -0.861 . . . . 0.0 111.108 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.31 -40.29 51.87 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 121.98 0.895 . . . . 0.0 109.474 179.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.48 77.87 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.574 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -52.46 -31.43 34.78 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.28 1.032 . . . . 0.0 113.356 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -4.2 57.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 151.43 47.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 119.089 0.859 . . . . 0.0 111.988 -176.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -79.69 146.92 32.17 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 171.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.74 Favored Glycine 0 C--O 1.254 1.378 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 173.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.32 138.5 57.95 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 125.52 1.528 . . . . 0.0 112.099 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.5 177.79 6.52 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.59 -4.85 42.37 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.445 1.091 . . . . 0.0 111.553 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.64 30.72 6.58 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.079 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.9 m -95.46 139.17 32.12 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 113.369 0.878 . . . . 0.0 113.369 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.43 161.66 38.47 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.7 mt -83.25 117.13 22.74 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.573 171.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.91 60.39 Favored Glycine 0 C--O 1.253 1.342 0 N-CA-C 116.003 1.161 . . . . 0.0 116.003 -173.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.3 58.07 Favored 'General case' 0 C--O 1.247 0.95 0 O-C-N 120.125 -1.809 . . . . 0.0 112.019 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.76 -8.67 28.05 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 123.496 0.718 . . . . 0.0 112.644 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.23 120.29 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.709 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.516 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.55 146.7 29.27 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 124.351 1.032 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.8 mt -62.92 135.59 57.39 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -173.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.8 p -126.82 167.49 15.73 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.65 65.37 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 111.991 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.6 -15.43 39.1 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.81 -1.11 57.92 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.83 41.66 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 118.135 -1.426 . . . . 0.0 108.818 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 69.69 7.84 6.43 Favored 'General case' 0 N--CA 1.425 -1.718 0 C-N-CA 125.923 1.689 . . . . 0.0 115.095 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -65.76 164.15 15.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.261 1.029 . . . . 0.0 111.007 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.61 134.53 54.51 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.001 173.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.6 153.3 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 173.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.41 133.27 56.22 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.818 1.324 . . . . 0.0 111.605 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.74 115.28 64.6 Favored Pre-proline 0 C--O 1.179 -2.637 0 CA-C-O 123.604 1.669 . . . . 0.0 107.752 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.522 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.9 Cg_endo . . . . . 0 C--N 1.375 1.95 0 CA-C-N 111.817 -1.887 . . . . 0.0 113.646 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.413 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.51 HE21 ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.735 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.0 154.34 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 111.168 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.76 134.92 33.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.938 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -129.7 132.95 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.02 134.53 50.03 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.094 0.871 . . . . 0.0 109.163 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.77 121.46 41.65 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 124.177 0.923 . . . . 0.0 108.607 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.1 mt -88.22 104.73 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.545 -1.279 . . . . 0.0 107.545 171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.48 169.28 16.75 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.725 -175.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.23 67.03 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-N 119.41 1.005 . . . . 0.0 112.67 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.531 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.21 -14.73 60.98 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.879 0.472 . . . . 0.0 112.164 176.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.45 49.02 Favored Glycine 0 CA--C 1.522 0.503 0 O-C-N 121.76 -0.587 . . . . 0.0 111.653 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.36 140.3 41.36 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.237 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.28 121.01 35.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.465 0.65 . . . . 0.0 110.917 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.47 27.18 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.36 125.6 50.72 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 124.815 1.322 . . . . 0.0 108.54 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.23 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.718 0.771 . . . . 0.0 111.306 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.58 144.89 47.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.016 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.46 25.23 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.191 0.496 . . . . 0.0 110.828 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.37 135.34 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 118.238 -1.385 . . . . 0.0 108.345 178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.51 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.01 -22.7 37.18 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-O 119.199 -0.779 . . . . 0.0 111.974 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.29 142.63 54.06 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 117.56 0.68 . . . . 0.0 109.835 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.438 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.7 165.72 23.88 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 117.799 -1.56 . . . . 0.0 108.202 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.1 63.23 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.624 -0.673 . . . . 0.0 111.499 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.46 -42.59 67.96 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.17 -46.37 68.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.245 173.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -57.02 -45.37 83.87 Favored 'Isoleucine or valine' 0 C--O 1.246 0.874 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.591 177.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 49.9 t -69.16 -43.83 81.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.743 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.503 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.1 -49.39 62.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.209 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.15 -40.17 95.06 Favored 'General case' 0 C--O 1.239 0.52 0 O-C-N 120.482 -1.386 . . . . 0.0 113.738 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.506 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.74 29.59 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 48.94 45.23 22.62 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 124.18 0.992 . . . . 0.0 113.375 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.11 140.63 58.82 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.594 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.6 9.79 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.827 1.299 . . . . 0.0 112.283 -175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -114.67 105.3 18.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 120.389 -1.444 . . . . 0.0 108.271 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.86 127.12 15.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 111.382 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.36 40.7 Favored Glycine 0 N--CA 1.413 -2.876 0 C-N-CA 126.881 2.182 . . . . 0.0 117.485 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -65.87 125.94 26.94 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-N 118.649 1.225 . . . . 0.0 112.27 -170.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.13 20.33 Favored Glycine 0 C--O 1.246 0.869 0 O-C-N 121.348 -0.845 . . . . 0.0 112.651 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.92 -51.73 22.25 Favored 'General case' 0 C--O 1.257 1.496 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.2 5.59 25.87 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 120.276 -1.515 . . . . 0.0 113.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.54 44.36 28.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.856 0.836 . . . . 0.0 111.14 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.97 48.07 68.88 Favored Glycine 0 N--CA 1.411 -3.0 0 N-CA-C 119.529 2.572 . . . . 0.0 119.529 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.57 13.36 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 119.683 1.742 . . . . 0.0 111.797 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.406 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.1 45.7 14.24 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.51 16.29 7.62 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.287 0.565 . . . . 0.0 109.947 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.624 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.57 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.918 -178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.6 12.4 12.28 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 116.928 -1.909 . . . . 0.0 110.713 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.4 p -73.3 -15.05 61.41 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.61 15.33 25.45 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 119.028 0.831 . . . . 0.0 111.236 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.98 44.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.235 176.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.15 152.23 51.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.0 mt -110.7 119.49 59.53 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.41 159.76 14.78 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.471 1.107 . . . . 0.0 112.304 -170.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.33 146.15 54.87 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.86 -43.11 85.73 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -68.2 -28.62 67.42 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 122.012 0.911 . . . . 0.0 111.655 -175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -74.89 -51.49 21.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 O-C-N 121.026 -1.047 . . . . 0.0 109.786 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.54 -44.92 46.92 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.5 -11.55 60.92 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -173.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.85 13.21 17.1 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 119.188 0.904 . . . . 0.0 111.765 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.75 35.79 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.701 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.19 141.85 49.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.72 0.295 . . . . 0.0 110.229 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.49 135.38 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.791 0.436 . . . . 0.0 110.618 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.41 138.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.297 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.6 17.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.396 0.617 . . . . 0.0 109.539 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.6 -36.72 83.62 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.212 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.0 -45.8 91.99 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.832 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.73 -45.92 90.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 118.99 -1.084 . . . . 0.0 110.687 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.69 -39.09 70.54 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.52 -38.45 89.7 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.349 -0.844 . . . . 0.0 111.123 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.624 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.31 -40.31 51.86 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-O 121.98 0.895 . . . . 0.0 109.466 179.174 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.56 -34.39 77.71 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.608 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.49 -31.43 35.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.28 1.032 . . . . 0.0 113.338 177.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 -4.23 57.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 151.4 47.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 119.066 0.848 . . . . 0.0 111.95 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.59 146.92 32.3 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 171.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.53 36.77 93.8 Favored Glycine 0 C--O 1.254 1.356 0 N-CA-C 114.456 0.542 . . . . 0.0 114.456 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.29 138.54 57.93 Favored 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 125.533 1.533 . . . . 0.0 112.081 177.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.53 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.55 -4.78 41.87 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.496 1.122 . . . . 0.0 111.588 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.71 30.82 6.52 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.045 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.52 139.14 32.22 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -175.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -144.41 161.68 38.4 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.25 117.1 22.72 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 119.262 -0.975 . . . . 0.0 108.567 171.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.81 -30.89 60.35 Favored Glycine 0 C--O 1.253 1.329 0 N-CA-C 116.044 1.177 . . . . 0.0 116.044 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.71 -12.29 57.89 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 120.108 -1.819 . . . . 0.0 112.071 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.77 -8.63 28.13 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.501 0.72 . . . . 0.0 112.673 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mm -106.23 120.3 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.73 -174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.51 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.51 146.68 29.26 Favored 'General case' 0 CA--C 1.53 0.207 0 O-C-N 124.308 1.005 . . . . 0.0 111.412 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.86 135.61 57.42 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.1 p -126.84 167.39 15.87 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.19 -45.64 65.24 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.092 0.472 . . . . 0.0 111.949 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.68 -15.37 39.63 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.4 mtt -88.88 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.7 t0 -54.62 130.86 41.77 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 118.161 -1.415 . . . . 0.0 108.824 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 69.68 7.82 6.42 Favored 'General case' 0 N--CA 1.425 -1.721 0 C-N-CA 125.883 1.673 . . . . 0.0 115.082 178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.67 164.11 15.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 110.998 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.3 m -122.6 134.53 54.51 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.056 173.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.9 m -117.57 153.26 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.39 133.37 56.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.85 1.344 . . . . 0.0 111.578 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.79 115.3 64.66 Favored Pre-proline 0 C--O 1.179 -2.611 0 CA-C-O 123.627 1.68 . . . . 0.0 107.709 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.526 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.375 1.939 0 CA-C-N 111.829 -1.882 . . . . 0.0 113.626 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.406 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.728 0 N-CA-C 110.524 -0.176 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.45 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.04 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.257 0.551 . . . . 0.0 111.198 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.71 134.99 33.56 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.903 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -129.77 132.95 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.04 134.52 50.06 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.064 0.852 . . . . 0.0 109.1 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.7 m-85 -116.75 121.49 41.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 124.142 0.901 . . . . 0.0 108.601 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.28 104.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 171.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.515 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.52 169.32 16.72 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.663 -175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -25.39 67.17 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 119.383 0.992 . . . . 0.0 112.671 -177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.4 p30 -74.11 -14.74 61.02 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 122.889 0.476 . . . . 0.0 112.219 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 -9.44 49.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.43 140.25 41.22 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.251 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -94.26 121.01 35.33 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.448 0.642 . . . . 0.0 110.89 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.03 114.39 27.05 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.221 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.3 125.64 50.72 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.757 1.286 . . . . 0.0 108.577 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.24 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.706 0.765 . . . . 0.0 111.258 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.93 47.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.48 165.47 25.25 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 174.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.72 28.38 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.808 179.125 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.36 135.38 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 118.258 -1.377 . . . . 0.0 108.321 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.508 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.92 -22.64 37.52 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.024 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.66 54.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 117.54 0.67 . . . . 0.0 109.831 177.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.76 165.7 23.86 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.784 -1.567 . . . . 0.0 108.202 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.01 -24.08 63.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.661 -0.649 . . . . 0.0 111.521 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.43 -42.61 68.04 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.15 -46.44 68.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.232 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.01 -45.37 83.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.569 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.14 -43.77 81.37 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 C-N-CA 119.511 -0.875 . . . . 0.0 110.531 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t -69.24 -49.32 62.28 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.12 -40.19 95.06 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 120.427 -1.421 . . . . 0.0 113.754 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.5 m-20 -89.56 8.8 29.37 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 48.95 45.19 22.67 Favored 'General case' 0 N--CA 1.433 -1.305 0 C-N-CA 124.19 0.996 . . . . 0.0 113.388 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.08 140.62 58.84 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.678 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.3 66.64 9.81 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 122.844 1.307 . . . . 0.0 112.246 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.69 105.22 18.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.403 -1.436 . . . . 0.0 108.288 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.78 127.09 15.31 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.406 -174.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.76 0.34 40.61 Favored Glycine 0 N--CA 1.413 -2.895 0 C-N-CA 126.896 2.188 . . . . 0.0 117.55 174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.92 26.88 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 118.624 1.212 . . . . 0.0 112.31 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.56 28.07 20.41 Favored Glycine 0 C--O 1.246 0.871 0 O-C-N 121.349 -0.844 . . . . 0.0 112.655 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.89 -51.69 22.22 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.25 5.56 26.16 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.271 -1.518 . . . . 0.0 113.458 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.61 44.35 28.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.906 0.86 . . . . 0.0 111.127 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.98 48.0 69.48 Favored Glycine 0 N--CA 1.411 -2.986 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -118.91 15.52 13.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.735 1.767 . . . . 0.0 111.805 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.411 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.13 45.7 14.15 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.5 16.24 7.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.211 0.529 . . . . 0.0 109.934 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.622 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.76 171.0 19.56 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 118.772 -1.171 . . . . 0.0 109.861 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.57 12.36 12.3 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 116.908 -1.917 . . . . 0.0 110.735 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.25 -15.06 61.43 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -171.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.58 15.31 25.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 119.081 0.855 . . . . 0.0 111.232 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.53 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.228 176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.3 mt -132.17 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.66 119.45 59.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.37 159.73 14.79 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.442 1.088 . . . . 0.0 112.324 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.4 146.2 54.85 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.09 85.65 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.25 -28.58 67.34 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 119.135 0.88 . . . . 0.0 111.624 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.84 -51.48 21.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.096 -1.002 . . . . 0.0 109.849 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.6 -44.92 47.5 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.43 -11.63 60.98 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.86 13.22 17.1 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 119.158 0.89 . . . . 0.0 111.804 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.83 157.69 35.9 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.682 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.17 141.8 49.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.4 135.4 13.96 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 122.709 0.404 . . . . 0.0 110.679 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.43 138.08 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.362 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.89 161.57 17.41 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.372 0.606 . . . . 0.0 109.575 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -62.59 -36.61 83.29 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.23 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -62.08 -45.78 91.98 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.816 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -62.69 -45.94 90.46 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 118.965 -1.094 . . . . 0.0 110.7 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.64 -39.14 70.48 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -65.47 -38.51 90.01 Favored 'General case' 0 C--O 1.224 -0.289 0 O-C-N 121.339 -0.85 . . . . 0.0 111.144 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.26 -40.27 52.31 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-O 121.989 0.899 . . . . 0.0 109.495 179.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.59 -34.39 77.71 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.46 -1.246 . . . . 0.0 111.546 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.56 -31.36 35.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.219 1.008 . . . . 0.0 113.372 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -4.25 57.35 Favored 'General case' 0 N--CA 1.432 -1.326 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.3 47.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.159 0.89 . . . . 0.0 111.976 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.6 146.95 32.27 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.51 36.79 93.83 Favored Glycine 0 C--O 1.254 1.391 0 N-CA-C 114.395 0.518 . . . . 0.0 114.395 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.35 138.52 57.95 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 125.548 1.539 . . . . 0.0 112.051 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.0 p -127.5 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 176.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.58 -4.87 42.46 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.443 1.089 . . . . 0.0 111.548 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' B' ' 87' ' ' ARG . 28.0 mtm105 -121.59 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.064 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.4 m -95.44 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -144.45 161.61 38.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.21 117.07 22.68 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.248 -0.981 . . . . 0.0 108.585 171.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.7 -30.96 60.14 Favored Glycine 0 C--O 1.253 1.315 0 N-CA-C 116.054 1.182 . . . . 0.0 116.054 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.74 -12.27 57.95 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 120.181 -1.776 . . . . 0.0 112.011 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.63 28.09 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 123.469 0.708 . . . . 0.0 112.671 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 120.001 -0.68 . . . . 0.0 109.726 -174.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.508 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.2 t -105.61 146.69 29.35 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 124.305 1.003 . . . . 0.0 111.362 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.5 mt -62.87 135.62 57.42 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 49.0 p -126.88 167.43 15.84 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 176.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.61 65.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.155 0.502 . . . . 0.0 112.013 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.67 -15.41 39.75 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.1 mtt -88.86 -1.09 57.92 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.45 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.64 130.86 41.84 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 118.166 -1.414 . . . . 0.0 108.792 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.72 7.81 6.41 Favored 'General case' 0 N--CA 1.425 -1.701 0 C-N-CA 125.881 1.673 . . . . 0.0 115.037 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.71 164.15 15.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.268 1.033 . . . . 0.0 111.057 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.4 m -122.56 134.49 54.53 Favored 'General case' 0 C--O 1.212 -0.918 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.04 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.8 m -117.54 153.27 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.37 133.31 56.16 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.847 1.342 . . . . 0.0 111.594 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.75 115.28 64.62 Favored Pre-proline 0 C--O 1.179 -2.64 0 CA-C-O 123.613 1.673 . . . . 0.0 107.743 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 32.0 Cg_endo . . . . . 0 C--N 1.375 1.973 0 CA-C-N 111.845 -1.877 . . . . 0.0 113.661 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.411 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' B' ' 51' ' ' ALA . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.5 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.681 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.6 pt -129.99 154.38 40.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 121.199 0.523 . . . . 0.0 111.221 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.7 134.95 33.56 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.942 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.1 t -129.73 132.99 65.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -107.03 134.52 50.05 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 124.092 0.87 . . . . 0.0 109.142 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.74 121.45 41.63 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.24 104.79 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.525 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.1 t-20 -72.46 169.31 16.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.732 -175.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -25.33 67.08 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.429 1.013 . . . . 0.0 112.682 -177.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 21.9 p30 -74.14 -14.74 61.01 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.859 0.463 . . . . 0.0 112.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.41 48.98 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.39 140.27 41.29 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.246 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.25 120.97 35.26 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.445 0.641 . . . . 0.0 110.944 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -98.99 114.43 27.08 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.265 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.2 m -104.38 125.59 50.73 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.726 1.266 . . . . 0.0 108.493 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.9 173.26 13.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.734 0.778 . . . . 0.0 111.277 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.61 144.88 47.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.96 -178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.47 165.47 25.24 Favored Glycine 0 CA--C 1.538 1.527 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.16 143.78 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.149 0.475 . . . . 0.0 110.77 179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.47 135.34 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.259 -1.377 . . . . 0.0 108.289 178.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.519 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 102.02 -22.68 37.22 Favored Glycine 0 N--CA 1.443 -0.868 0 CA-C-O 119.164 -0.798 . . . . 0.0 111.933 -178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.497 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.3 142.64 54.04 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 117.577 0.689 . . . . 0.0 109.835 177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.68 165.74 23.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.738 -1.585 . . . . 0.0 108.223 174.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.99 -24.14 63.26 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.598 -0.689 . . . . 0.0 111.496 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.47 -42.58 67.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -53.21 -46.4 69.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.182 173.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.05 -45.4 83.99 Favored 'Isoleucine or valine' 0 C--O 1.246 0.888 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.539 177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.1 -43.82 81.45 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.533 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.21 -49.34 62.31 Favored 'Isoleucine or valine' 0 C--O 1.253 1.241 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.1 -40.2 95.08 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 120.43 -1.419 . . . . 0.0 113.786 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.505 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.3 m-20 -89.52 8.82 29.19 Favored 'General case' 0 CA--C 1.504 -0.818 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.9 45.24 22.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.143 0.977 . . . . 0.0 113.414 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.18 140.63 58.78 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.635 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.21 66.56 9.79 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 122.81 1.291 . . . . 0.0 112.245 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.67 105.26 18.31 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.368 -1.458 . . . . 0.0 108.357 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -49.76 127.07 15.25 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.367 -174.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.85 0.29 41.09 Favored Glycine 0 N--CA 1.412 -2.913 0 C-N-CA 126.876 2.179 . . . . 0.0 117.469 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.84 125.89 26.76 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 118.629 1.215 . . . . 0.0 112.326 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.53 28.1 20.4 Favored Glycine 0 C--O 1.245 0.816 0 O-C-N 121.345 -0.847 . . . . 0.0 112.65 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.84 -51.75 21.63 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.33 5.69 25.9 Favored 'General case' 0 C--O 1.244 0.765 0 O-C-N 120.239 -1.538 . . . . 0.0 113.425 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.52 44.38 28.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.855 0.836 . . . . 0.0 111.113 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.91 48.04 69.6 Favored Glycine 0 N--CA 1.411 -2.985 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.93 15.59 13.38 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 119.746 1.773 . . . . 0.0 111.796 177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.416 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.12 45.69 14.2 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.422 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . -126.48 16.3 7.64 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.258 0.551 . . . . 0.0 109.963 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.98 19.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 118.79 -1.164 . . . . 0.0 109.891 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.52 12.34 12.33 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 116.926 -1.91 . . . . 0.0 110.718 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.1 p -73.25 -15.1 61.43 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -171.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.432 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.61 15.35 25.39 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 119.076 0.853 . . . . 0.0 111.283 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.58 129.99 44.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.219 176.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.15 152.19 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.419 HD11 ' HB3' ' B' ' 108' ' ' PRO . 61.1 mt -110.61 119.5 59.51 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.4 159.78 14.76 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.447 1.092 . . . . 0.0 112.294 -170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.41 146.14 54.96 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -57.8 -43.11 85.43 Favored 'General case' 0 C--O 1.254 1.306 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.22 -28.6 67.38 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 122.02 0.914 . . . . 0.0 111.642 -175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.47 21.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.106 -0.996 . . . . 0.0 109.816 172.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -49.52 -44.94 46.68 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.48 -11.58 60.95 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -173.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -114.88 13.22 17.06 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 119.195 0.907 . . . . 0.0 111.77 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.8 157.74 35.86 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.697 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.24 141.85 49.49 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.252 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.53 135.44 14.33 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.746 0.418 . . . . 0.0 110.633 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.4 tt -73.43 138.09 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.305 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.4 p -87.87 161.62 17.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 109.565 177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.65 -36.62 83.42 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.243 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.01 -45.78 92.09 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.866 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.78 -45.87 90.63 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.711 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.63 -39.14 70.43 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.44 -38.5 90.04 Favored 'General case' 0 C--O 1.223 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 111.17 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.619 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.28 -40.31 52.03 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 122.015 0.912 . . . . 0.0 109.49 179.195 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -34.45 77.8 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.597 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -52.48 -31.41 34.93 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.298 1.039 . . . . 0.0 113.361 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -4.14 57.37 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.38 47.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 119.099 0.863 . . . . 0.0 111.957 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -79.67 146.88 32.22 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 171.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.59 36.77 93.79 Favored Glycine 0 C--O 1.253 1.339 0 N-CA-C 114.426 0.53 . . . . 0.0 114.426 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.36 138.54 57.96 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 125.517 1.527 . . . . 0.0 112.112 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.55 177.7 6.59 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -75.6 -4.78 42.01 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.492 1.12 . . . . 0.0 111.579 175.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 28.0 mtm105 -121.63 30.78 6.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.058 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.5 m -95.5 139.13 32.21 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.4 161.66 38.44 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.22 117.07 22.69 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.575 171.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.74 -30.94 60.24 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 116.061 1.185 . . . . 0.0 116.061 -174.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.3 57.68 Favored 'General case' 0 C--O 1.247 0.965 0 O-C-N 120.179 -1.777 . . . . 0.0 112.06 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.75 -8.65 28.11 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.479 0.712 . . . . 0.0 112.688 178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.24 120.34 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 119.944 -0.702 . . . . 0.0 109.719 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.519 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.0 t -105.57 146.72 29.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.363 1.039 . . . . 0.0 111.382 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.92 135.58 57.38 Favored 'General case' 0 N--CA 1.439 -1.005 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.79 167.44 15.77 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.23 -45.59 65.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.103 0.478 . . . . 0.0 111.979 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.73 -15.35 40.0 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.3 mtt -88.86 -1.03 57.89 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.461 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.88 41.98 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.165 -1.414 . . . . 0.0 108.774 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 69.68 7.83 6.43 Favored 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 125.936 1.695 . . . . 0.0 115.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.7 164.1 15.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.275 1.036 . . . . 0.0 111.047 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.2 m -122.55 134.47 54.54 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.017 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -117.55 153.3 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.413 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.4 133.29 56.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 124.832 1.333 . . . . 0.0 111.627 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.76 115.3 64.65 Favored Pre-proline 0 C--O 1.178 -2.662 0 CA-C-O 123.627 1.68 . . . . 0.0 107.707 174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.7 Cg_endo . . . . . 0 C--N 1.375 1.956 0 CA-C-N 111.807 -1.89 . . . . 0.0 113.624 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.416 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' NE2' ' HB2' ' B' ' 52' ' ' CYS . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.681 ' CB ' ' HA ' ' B' ' 51' ' ' ALA . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.709 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.38 40.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.205 0.526 . . . . 0.0 111.236 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -87.68 134.92 33.57 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.923 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.6 t -129.73 132.96 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -107.02 134.5 50.07 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.074 0.858 . . . . 0.0 109.172 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.8 m-85 -116.81 121.52 41.79 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.4 mt -88.26 104.73 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 171.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.518 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.2 t-20 -72.49 169.3 16.73 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 -175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -25.36 67.14 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.462 1.028 . . . . 0.0 112.685 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.11 -14.81 61.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.894 0.477 . . . . 0.0 112.162 176.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.51 -9.44 48.83 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.33 140.3 41.41 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.273 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.4 m -94.24 121.0 35.3 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.436 0.636 . . . . 0.0 110.899 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.447 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.06 114.42 27.11 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.1 m -104.35 125.62 50.74 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.745 1.278 . . . . 0.0 108.536 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.94 173.27 13.51 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.704 0.764 . . . . 0.0 111.32 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -120.63 144.86 47.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.966 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.42 165.56 25.21 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 108.856 -1.698 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.19 143.66 28.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.183 0.492 . . . . 0.0 110.818 179.155 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.36 15.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 118.257 -1.377 . . . . 0.0 108.333 178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.517 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.95 -22.61 37.57 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-O 119.171 -0.794 . . . . 0.0 111.963 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.41 142.68 53.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 117.56 0.68 . . . . 0.0 109.836 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.6 p -77.73 165.77 23.8 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.729 -1.588 . . . . 0.0 108.148 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.98 -24.18 63.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 121.624 -0.672 . . . . 0.0 111.509 176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.1 tp -71.37 -42.64 68.18 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.09 -46.44 68.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.207 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 57.9 t -57.07 -45.38 84.09 Favored 'Isoleucine or valine' 0 C--O 1.246 0.876 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.548 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.2 t -69.12 -43.81 81.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 C-N-CA 119.554 -0.858 . . . . 0.0 110.536 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.15 -49.4 62.24 Favored 'Isoleucine or valine' 0 C--O 1.253 1.24 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.13 -40.19 95.1 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 120.522 -1.362 . . . . 0.0 113.747 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.497 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.2 m-20 -89.5 8.81 29.13 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 48.92 45.26 22.54 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 124.149 0.98 . . . . 0.0 113.384 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.19 140.68 58.78 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.627 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.34 66.67 9.82 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 122.845 1.307 . . . . 0.0 112.267 -175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -114.63 105.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 120.41 -1.432 . . . . 0.0 108.318 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.8 127.09 15.36 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.369 -174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.81 0.34 40.97 Favored Glycine 0 N--CA 1.413 -2.88 0 C-N-CA 126.866 2.174 . . . . 0.0 117.477 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -65.82 125.87 26.71 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 118.651 1.226 . . . . 0.0 112.309 -170.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.54 28.07 20.49 Favored Glycine 0 C--O 1.246 0.855 0 O-C-N 121.371 -0.83 . . . . 0.0 112.675 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.9 -51.68 22.29 Favored 'General case' 0 C--O 1.258 1.531 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.31 5.63 26.1 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 120.25 -1.531 . . . . 0.0 113.458 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 54.62 44.28 28.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.843 0.83 . . . . 0.0 111.1 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.05 48.0 68.99 Favored Glycine 0 N--CA 1.411 -3.004 0 N-CA-C 119.533 2.573 . . . . 0.0 119.533 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -118.91 15.53 13.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 119.764 1.782 . . . . 0.0 111.847 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.421 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.7 mt 59.11 45.7 14.21 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.681 ' HA ' ' CB ' ' A' ' 81' ' ' ALA . . . -126.51 16.28 7.62 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 109.954 176.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.618 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.73 171.01 19.53 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 118.818 -1.153 . . . . 0.0 109.928 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.56 12.34 12.3 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 116.95 -1.9 . . . . 0.0 110.743 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.9 p -73.19 -15.11 61.46 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.4 p -98.62 15.28 25.62 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 119.034 0.834 . . . . 0.0 111.21 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.532 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.42 129.99 44.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.221 176.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.4 mt -132.18 152.23 51.39 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' B' ' 106' ' ' ARG . 60.8 mt -110.73 119.48 59.54 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -99.36 159.78 14.75 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.492 1.12 . . . . 0.0 112.3 -170.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.39 146.14 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 169.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.84 -43.08 85.59 Favored 'General case' 0 C--O 1.255 1.349 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.28 -28.5 67.25 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.991 0.9 . . . . 0.0 111.662 -175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -74.93 -51.48 21.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 O-C-N 121.043 -1.035 . . . . 0.0 109.782 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -49.57 -44.88 47.16 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.53 -11.56 60.93 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.88 13.25 17.07 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 119.19 0.904 . . . . 0.0 111.825 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.82 157.75 35.8 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.706 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.26 141.85 49.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.253 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.45 135.42 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.694 0.398 . . . . 0.0 110.665 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 138.07 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.35 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.8 161.57 17.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.398 0.618 . . . . 0.0 109.554 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.62 -36.65 83.45 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.228 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -62.03 -45.8 92.0 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.837 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' B' ' 90' ' ' LEU . 77.0 tt0 -62.75 -45.89 90.61 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.666 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.7 -39.13 70.61 Favored 'General case' 0 C--O 1.245 0.835 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -65.45 -38.54 90.13 Favored 'General case' 0 C--O 1.224 -0.27 0 O-C-N 121.34 -0.85 . . . . 0.0 111.144 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.631 ' HB3' HD11 ' B' ' 90' ' ' LEU . 0.0 OUTLIER -76.25 -40.34 52.2 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 121.979 0.895 . . . . 0.0 109.445 179.217 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.53 -34.32 77.54 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.656 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -52.59 -31.35 35.84 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.209 1.004 . . . . 0.0 113.318 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -4.32 57.33 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.7 151.34 47.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 119.13 0.877 . . . . 0.0 111.947 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -79.69 146.91 32.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.56 36.73 93.75 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 114.423 0.529 . . . . 0.0 114.423 173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.27 138.54 57.92 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 125.505 1.522 . . . . 0.0 112.106 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.1 p -127.51 177.74 6.55 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -75.54 -4.84 42.15 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.427 1.08 . . . . 0.0 111.631 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -121.62 30.73 6.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.069 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.8 m -95.45 139.18 32.09 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -175.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.46 161.59 38.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.8 mt -83.12 117.15 22.69 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 119.279 -0.968 . . . . 0.0 108.584 171.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.89 -30.84 60.51 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 -174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.72 -12.28 57.9 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 120.148 -1.795 . . . . 0.0 112.049 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -97.78 -8.61 28.12 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.518 0.727 . . . . 0.0 112.634 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.3 120.35 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.701 -174.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.517 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.61 146.72 29.3 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 124.261 0.975 . . . . 0.0 111.33 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.95 135.63 57.4 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.6 p -126.85 167.43 15.83 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.2 -45.61 65.27 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.131 0.491 . . . . 0.0 111.975 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -15.37 39.88 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.81 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.437 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.68 130.9 42.15 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.765 177.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 69.69 7.79 6.41 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 125.916 1.686 . . . . 0.0 115.067 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.66 164.19 14.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.252 1.025 . . . . 0.0 111.054 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 63.1 m -122.63 134.52 54.5 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.995 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -117.61 153.24 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.38 133.23 56.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.829 1.331 . . . . 0.0 111.593 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.64 115.29 64.59 Favored Pre-proline 0 C--O 1.179 -2.638 0 CA-C-O 123.575 1.655 . . . . 0.0 107.732 174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.532 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.8 Cg_endo . . . . . 0 C--N 1.374 1.91 0 CA-C-N 111.873 -1.867 . . . . 0.0 113.616 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.421 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' THR . . . . . 0.634 HG21 ' OE2' ' A' ' 61' ' ' GLU . 82.7 p . . . . . 0 N--CA 1.524 3.261 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -150.84 27.28 0.71 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -142.16 131.94 24.21 Favored 'General case' 0 C--O 1.272 2.241 0 C-N-CA 131.07 3.748 . . . . 0.0 107.325 -174.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -135.26 151.96 51.07 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 127.371 2.919 . . . . 0.0 106.718 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . -63.82 150.6 44.39 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 127.19 2.806 . . . . 0.0 110.856 -177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -131.7 -146.14 5.7 Favored Glycine 0 C--O 1.265 2.048 0 O-C-N 127.967 3.292 . . . . 0.0 105.849 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -97.33 115.65 28.07 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 126.051 1.741 . . . . 0.0 106.923 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -34.99 77.91 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 111.829 -2.441 . . . . 0.0 108.545 173.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -68.02 -47.82 67.37 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HG2' ' OD2' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -57.88 -39.88 78.88 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 123.589 1.661 . . . . 0.0 110.409 -178.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.64 -37.59 95.02 Favored Glycine 1 N--CA 1.53 4.937 1 CA-C-O 113.329 -4.039 . . . . 0.0 108.343 178.879 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.95 96.65 Favored 'General case' 0 C--N 1.288 -2.07 0 CA-C-O 112.102 -3.809 . . . . 0.0 108.103 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.254 29.8 p -76.7 -25.49 53.68 Favored 'General case' 0 C--N 1.284 -2.27 0 O-C-N 128.601 3.688 . . . . 0.0 111.22 -176.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 94' ' ' LEU . 4.6 tp -66.97 -48.26 69.06 Favored 'General case' 0 C--O 1.262 1.712 0 O-C-N 127.976 3.297 . . . . 0.0 105.147 173.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 46.9 t80 -52.6 -51.42 59.96 Favored 'General case' 0 N--CA 1.515 2.796 1 CA-C-O 128.711 4.1 . . . . 0.0 111.26 -179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -58.62 -50.71 72.82 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 117.051 -3.531 . . . . 0.0 111.068 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.5 p -75.79 -25.42 56.38 Favored 'General case' 0 C--N 1.293 -1.848 0 O-C-N 117.593 -3.192 . . . . 0.0 116.097 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -116.59 -23.06 8.38 Favored 'General case' 0 C--O 1.26 1.652 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 -173.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -117.01 -29.57 5.93 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 118.708 2.855 . . . . 0.0 118.708 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.08 -27.81 64.0 Favored 'General case' 0 CA--C 1.581 2.144 0 C-N-CA 128.865 2.866 . . . . 0.0 110.829 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -58.56 -30.23 66.98 Favored 'General case' 0 C--O 1.292 3.333 1 O-C-N 130.584 4.927 . . . . 0.0 108.419 178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.1 m -118.6 -17.04 9.39 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 128.902 3.876 . . . . 0.0 120.451 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -138.74 151.34 47.03 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 118.137 -2.852 . . . . 0.0 115.042 -171.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 p -113.0 156.39 23.13 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 111.036 -2.802 . . . . 0.0 107.145 171.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 34.1 m -116.84 -16.28 8.7 Favored 'Isoleucine or valine' 0 C--O 1.248 0.98 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 15.8 pm0 -72.34 149.47 44.36 Favored 'General case' 0 C--N 1.271 -2.83 0 CA-C-O 125.153 2.406 . . . . 0.0 114.281 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -65.92 127.04 30.48 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 175.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.4 7.13 82.99 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 116.542 -2.742 . . . . 0.0 114.518 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 21' ' ' GLU . . . -81.06 148.0 28.03 Favored Glycine 0 CA--C 1.575 3.812 0 N-CA-C 103.819 -3.712 . . . . 0.0 103.819 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -84.29 161.2 13.15 Favored 'Trans proline' 0 CA--C 1.484 -1.982 0 CA-C-O 127.937 3.224 . . . . 0.0 115.971 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -69.37 146.72 51.87 Favored 'General case' 0 C--O 1.287 3.075 0 O-C-N 117.507 -3.246 . . . . 0.0 105.224 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.255 32.1 mtmt -123.48 -127.67 0.26 Allowed 'General case' 0 N--CA 1.506 2.364 0 O-C-N 128.254 3.471 . . . . 0.0 106.315 170.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -57.18 -49.28 76.47 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-O 125.451 2.548 . . . . 0.0 109.829 168.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.35 164.6 15.65 Favored Glycine 0 C--N 1.375 2.748 0 CA-C-N 110.975 -2.83 . . . . 0.0 112.792 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -73.92 151.87 45.84 Favored 'Trans proline' 0 N--CA 1.433 -2.061 0 CA-C-O 116.119 -1.7 . . . . 0.0 114.243 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -58.45 137.44 57.32 Favored 'General case' 0 C--N 1.274 -2.704 1 O-C-N 130.308 4.755 . . . . 0.0 103.222 173.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.87 7.74 43.51 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 117.9 2.555 . . . . 0.0 117.9 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -54.96 138.64 43.02 Favored 'General case' 0 C--O 1.284 2.916 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.982 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.75 18.04 69.88 Favored Glycine 0 CA--C 1.478 -2.266 0 N-CA-C 117.999 1.96 . . . . 0.0 117.999 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 tp -61.07 -37.16 76.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 124.502 2.096 . . . . 0.0 114.077 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.804 ' CD2' HG21 ' A' ' 102' ' ' THR . 58.0 m-85 -65.48 126.46 28.36 Favored 'General case' 0 N--CA 1.502 2.134 0 CA-C-N 113.545 -1.661 . . . . 0.0 112.067 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.18 -11.08 66.3 Favored Glycine 0 C--N 1.298 -1.542 0 O-C-N 125.318 1.636 . . . . 0.0 116.633 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -95.09 157.33 15.94 Favored 'General case' 0 N--CA 1.509 2.516 0 N-CA-C 105.489 -2.041 . . . . 0.0 105.489 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 80.3 m80 -90.75 161.7 15.2 Favored 'General case' 0 C--O 1.262 1.713 0 N-CA-C 104.886 -2.265 . . . . 0.0 104.886 178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -65.18 146.6 54.76 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-N 112.524 -2.126 . . . . 0.0 110.369 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.77 25.27 62.94 Favored Glycine 0 N--CA 1.484 1.897 0 N-CA-C 118.271 2.068 . . . . 0.0 118.271 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -120.93 -1.81 9.83 Favored 'General case' 0 C--O 1.282 2.81 0 CA-C-N 122.427 3.114 . . . . 0.0 119.23 -172.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.56 129.96 41.59 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-O 126.951 3.262 . . . . 0.0 106.423 172.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.306 5.2 pt-20 -82.16 145.26 30.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 117.625 -3.172 . . . . 0.0 111.376 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 8.59 72.6 Favored Glycine 0 C--N 1.389 3.52 0 CA-C-O 116.986 -2.008 . . . . 0.0 115.145 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -118.0 136.71 53.36 Favored 'General case' 0 C--O 1.195 -1.765 0 CA-C-O 126.701 3.143 . . . . 0.0 110.245 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 t -91.32 84.87 5.67 Favored 'General case' 0 C--N 1.368 1.41 1 CA-C-O 130.331 4.872 . . . . 0.0 116.082 176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -70.29 161.75 29.78 Favored 'General case' 0 N--CA 1.483 1.216 1 O-C-N 115.239 -4.663 . . . . 0.0 111.457 178.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -73.63 157.7 36.14 Favored 'General case' 0 N--CA 1.403 -2.806 0 C-N-CA 127.166 2.186 . . . . 0.0 107.712 168.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -56.4 -45.74 80.48 Favored 'General case' 0 CA--C 1.582 2.184 1 CA-C-O 110.606 -4.521 . . . . 0.0 106.697 178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.58 -48.13 66.42 Favored 'General case' 0 C--O 1.268 2.056 1 O-C-N 134.517 7.386 . . . . 0.0 115.509 -178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -66.42 -48.01 71.4 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-O 124.237 1.97 . . . . 0.0 112.809 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.9 mt -57.06 -41.89 78.39 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 N-CA-C 117.359 2.355 . . . . 0.0 117.359 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -84.63 -15.17 46.41 Favored 'General case' 0 C--N 1.295 -1.785 0 C-N-CA 128.163 2.585 . . . . 0.0 110.823 -173.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 57' ' ' VAL . 15.7 tptt -74.19 -28.27 61.2 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 128.545 3.653 . . . . 0.0 106.561 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 41.4 46.22 2.85 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 112.165 -3.778 . . . . 0.0 110.972 176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 55' ' ' LYS . 6.7 t -66.57 136.57 26.48 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 1 O-C-N 130.183 4.677 . . . . 0.0 116.065 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -92.88 119.25 32.0 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -82.02 113.57 20.0 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 113.752 -1.567 . . . . 0.0 112.276 -175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 5.2 p30 -129.76 158.31 39.77 Favored 'General case' 0 N--CA 1.53 3.574 0 N-CA-C 102.443 -3.169 . . . . 0.0 102.443 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.634 ' OE2' HG21 ' A' ' -4' ' ' THR . 0.7 OUTLIER -49.87 -24.21 2.34 Favored 'General case' 0 C--O 1.293 3.363 1 CA-C-O 128.631 4.062 . . . . 0.0 112.221 178.5 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 46.2 m-20 -81.63 -43.39 18.66 Favored 'General case' 0 CA--C 1.557 1.239 1 O-C-N 113.323 -5.861 . . . . 0.0 118.859 -175.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . 0.294 0.5 OUTLIER -64.65 -44.67 89.7 Favored 'General case' 0 C--O 1.208 -1.112 2 CA-C-O 129.443 4.449 . . . . 0.0 109.158 177.224 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 64' ' ' MET . 24.3 tpp -56.14 -39.79 72.8 Favored 'General case' 0 N--CA 1.489 1.507 1 CA-C-N 105.176 -5.466 . . . . 0.0 110.951 176.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -66.07 -41.53 90.64 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.72 -40.5 69.41 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 114.068 -1.423 . . . . 0.0 107.452 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -55.37 -56.45 20.01 Favored 'General case' 0 C--O 1.289 3.151 0 CA-C-O 126.237 2.922 . . . . 0.0 110.384 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 HD23 ' A' ' 94' ' ' LEU . 98.0 mt -60.24 -18.54 49.46 Favored 'General case' 0 C--O 1.265 1.9 0 O-C-N 116.371 -3.956 . . . . 0.0 115.426 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.5 m -65.7 -37.26 85.95 Favored 'General case' 0 C--O 1.204 -1.303 0 O-C-N 119.167 -2.208 . . . . 0.0 113.423 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -175.02 87.42 0.31 Allowed Pre-proline 0 C--O 1.265 1.881 0 CA-C-N 113.303 -1.771 . . . . 0.0 108.491 -174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -48.82 -50.29 12.94 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 124.497 3.465 . . . . 0.0 115.215 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -69.96 -23.49 63.19 Favored 'General case' 0 C--O 1.203 -1.346 0 O-C-N 127.637 3.086 . . . . 0.0 116.652 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -76.64 -41.28 46.4 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 113.58 -3.105 . . . . 0.0 102.977 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -72.11 -44.78 62.67 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 126.223 2.202 . . . . 0.0 115.422 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 2.1 mt -125.98 84.5 61.1 Favored Pre-proline 0 N--CA 1.508 2.427 0 CA-C-O 128.151 3.834 . . . . 0.0 109.518 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -66.32 128.76 20.01 Favored 'Trans proline' 0 CA--C 1.599 3.741 0 N-CA-C 103.933 -3.141 . . . . 0.0 103.933 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.75 -1.52 56.81 Favored Glycine 0 N--CA 1.48 1.594 1 O-C-N 129.621 4.326 . . . . 0.0 115.017 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 75' ' ' ILE . 8.6 t -67.19 146.97 53.67 Favored 'General case' 0 CA--C 1.472 -2.038 0 O-C-N 117.225 -3.514 . . . . 0.0 106.285 -177.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -93.05 8.0 41.83 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 121.858 2.117 . . . . 0.0 114.959 175.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -72.55 106.34 4.57 Favored 'General case' 0 N--CA 1.52 3.065 0 CA-C-N 112.446 -2.161 . . . . 0.0 108.749 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.81 74.13 10.25 Favored 'General case' 0 C--O 1.258 1.544 1 O-C-N 130.786 5.054 . . . . 0.0 114.541 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -137.43 124.26 21.25 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.81 -42.4 98.52 Favored Glycine 0 N--CA 1.421 -2.303 0 CA-C-O 114.762 -3.244 . . . . 0.0 114.32 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.65 163.16 10.1 Favored Glycine 0 N--CA 1.499 2.876 0 O-C-N 128.312 3.007 . . . . 0.0 111.506 -177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 90' ' ' ASP . 8.3 mt -119.63 97.45 5.64 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HD3' ' N ' ' A' ' 86' ' ' LYS . 20.3 mmtt -72.6 -28.47 62.81 Favored 'General case' 0 CA--C 1.48 -1.713 1 CA-C-O 111.495 -4.098 . . . . 0.0 115.597 -175.592 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.22 126.64 34.94 Favored 'General case' 0 C--N 1.283 -2.32 0 O-C-N 127.098 2.749 . . . . 0.0 109.243 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -55.82 -36.74 67.82 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 112.451 -2.159 . . . . 0.0 111.138 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -37.14 86.47 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 118.955 -1.098 . . . . 0.0 112.073 -176.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.524 ' HB3' HD22 ' A' ' 85' ' ' LEU . 85.9 m-20 -64.22 -49.85 70.32 Favored 'General case' 0 N--CA 1.532 3.661 0 O-C-N 126.409 2.318 . . . . 0.0 112.302 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.5 mtm-85 -57.31 -43.79 83.57 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 114.844 -2.503 . . . . 0.0 111.606 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.6 -46.87 86.3 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 114.388 -2.72 . . . . 0.0 109.977 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 5' ' ' LYS . 98.5 m-20 -53.62 -55.51 25.22 Favored 'General case' 0 N--CA 1.403 -2.804 0 O-C-N 128.589 3.681 . . . . 0.0 110.99 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 9' ' ' LEU . 42.0 tp -60.79 -47.46 86.24 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.151 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -34.19 63.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 O-C-N 119.207 -2.183 . . . . 0.0 111.617 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . 0.257 85.7 m -58.49 -45.88 87.82 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 113.586 -1.643 . . . . 0.0 108.134 177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -68.23 -42.48 79.7 Favored 'General case' 0 C--O 1.276 2.481 0 C-N-CA 129.229 3.012 . . . . 0.0 110.41 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 ' O ' HG22 ' A' ' 102' ' ' THR . 93.5 mt -66.57 -45.8 78.11 Favored 'General case' 0 C--O 1.281 2.729 0 C-N-CA 114.59 -2.844 . . . . 0.0 112.991 176.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.576 ' HZ2' ' HD3' ' A' ' 100' ' ' LYS . 1.5 ttpp -45.43 -45.16 12.68 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 126.195 2.903 . . . . 0.0 111.716 176.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HZ2' ' A' ' 99' ' ' LYS . 22.3 mmmt -75.2 -45.65 39.11 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 118.357 2.725 . . . . 0.0 118.357 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.79 -21.32 34.61 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 128.396 3.56 . . . . 0.0 114.303 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.111 HG22 ' O ' ' A' ' 98' ' ' LEU . 9.9 t -89.09 4.6 47.86 Favored 'General case' 0 N--CA 1.522 3.156 0 O-C-N 127.496 2.998 . . . . 0.0 116.78 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 . . . . . 0 C--O 1.261 1.691 0 O-C-N 116.632 -3.792 . . . . 0.0 109.451 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.466 ' HB ' ' HA ' ' B' ' 101' ' ' ASP . 9.7 pt -130.01 154.39 40.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 121.227 0.537 . . . . 0.0 111.242 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -87.7 134.93 33.57 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.7 t -129.75 132.94 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -106.97 134.52 50.0 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 124.086 0.866 . . . . 0.0 109.171 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' B' ' 19' ' ' LEU . 33.9 m-85 -116.79 121.43 41.54 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 68.2 mt -88.23 104.76 14.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 171.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.528 ' HB3' ' OD1' ' B' ' 15' ' ' ASP . 34.3 t-20 -72.53 169.3 16.76 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.719 -175.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -25.33 67.14 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 119.405 1.002 . . . . 0.0 112.693 -177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' B' ' 13' ' ' ASN . 22.1 p30 -74.14 -14.76 61.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.869 0.468 . . . . 0.0 112.207 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.47 -9.5 49.07 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.31 140.3 41.44 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.27 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -94.29 120.97 35.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.412 0.625 . . . . 0.0 110.887 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' B' ' 11' ' ' PHE . 0.0 OUTLIER -99.05 114.44 27.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.248 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 86.5 m -104.38 125.62 50.76 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.758 1.287 . . . . 0.0 108.54 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 t -148.93 173.22 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.699 0.761 . . . . 0.0 111.358 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -120.6 144.94 47.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -137.46 165.45 25.24 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' B' ' 27' ' ' ASP . 0.0 OUTLIER -98.12 143.62 28.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.196 0.498 . . . . 0.0 110.833 179.099 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.34 135.38 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 118.237 -1.385 . . . . 0.0 108.322 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.515 ' C ' ' OG ' ' B' ' 95' ' ' SER . . . 101.94 -22.63 37.51 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-O 119.185 -0.786 . . . . 0.0 111.997 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' B' ' 24' ' ' LYS . 4.3 m-20 -69.39 142.64 53.87 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 117.526 0.663 . . . . 0.0 109.834 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.435 ' O ' HG23 ' B' ' 32' ' ' VAL . 4.5 p -77.73 165.72 23.86 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 117.793 -1.563 . . . . 0.0 108.157 175.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.94 -24.23 63.33 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 121.622 -0.674 . . . . 0.0 111.483 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.38 -42.6 68.22 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -53.19 -46.43 68.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.196 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' B' ' 36' ' ' ASN . 58.0 t -56.96 -45.46 83.66 Favored 'Isoleucine or valine' 0 C--O 1.245 0.826 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.547 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 50.1 t -69.15 -43.76 81.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.514 -0.875 . . . . 0.0 110.511 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 t -69.19 -49.32 62.68 Favored 'Isoleucine or valine' 0 C--O 1.253 1.251 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.14 -40.24 95.3 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 120.449 -1.407 . . . . 0.0 113.721 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' B' ' 38' ' ' LEU . 46.1 m-20 -89.46 8.77 29.27 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 48.88 45.26 22.38 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 124.186 0.994 . . . . 0.0 113.41 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 36' ' ' ASN . 3.5 mp -65.1 140.65 58.83 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.652 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.31 66.61 9.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 122.835 1.303 . . . . 0.0 112.233 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 23.2 mt -114.65 105.24 18.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 O-C-N 120.37 -1.456 . . . . 0.0 108.315 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -49.81 127.04 15.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.405 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.84 0.34 41.32 Favored Glycine 0 N--CA 1.412 -2.939 0 C-N-CA 126.863 2.173 . . . . 0.0 117.5 174.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -65.83 125.88 26.74 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 118.615 1.208 . . . . 0.0 112.284 -170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.58 28.05 20.42 Favored Glycine 0 C--O 1.245 0.835 0 O-C-N 121.389 -0.82 . . . . 0.0 112.645 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.69 22.03 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.26 5.55 26.24 Favored 'General case' 0 C--O 1.243 0.746 0 O-C-N 120.281 -1.512 . . . . 0.0 113.434 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 54.57 44.4 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.856 0.836 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.92 48.06 69.28 Favored Glycine 0 N--CA 1.411 -2.97 0 N-CA-C 119.585 2.594 . . . . 0.0 119.585 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.5 p -118.95 15.51 13.36 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 119.716 1.758 . . . . 0.0 111.841 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.409 ' HA ' ' S1 ' ' B' ' 109' ' ' FES . 68.8 mt 59.18 45.67 14.06 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.48 16.23 7.64 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.263 0.554 . . . . 0.0 110.009 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.625 ' O ' ' HG3' ' B' ' 77' ' ' MET . 1.8 p -153.78 170.99 19.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.876 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 79.5 p -119.51 12.31 12.33 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.734 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 34.0 p -73.22 -15.08 61.45 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' B' ' 90' ' ' LEU . 28.2 p -98.6 15.3 25.53 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 119.059 0.845 . . . . 0.0 111.268 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' HIS . . . . . 0.531 ' CE1' ' HG3' ' B' ' 108' ' ' PRO . 10.7 t-160 -59.47 129.92 44.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.224 176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 45.1 mt -132.14 152.24 51.36 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' B' ' 108' ' ' PRO . 60.8 mt -110.65 119.46 59.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.4 159.74 14.79 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 124.427 1.079 . . . . 0.0 112.299 -170.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.35 146.12 54.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -57.78 -43.07 85.29 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -68.33 -28.55 67.25 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.998 0.904 . . . . 0.0 111.606 -175.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 34.8 mm -74.92 -51.43 21.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 121.05 -1.031 . . . . 0.0 109.823 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -49.61 -44.86 47.5 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.54 -11.53 60.91 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -114.87 13.21 17.08 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.16 0.891 . . . . 0.0 111.816 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -73.82 157.74 35.84 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.707 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' B' ' 68' ' ' GLU . 2.5 pm0 -58.16 141.81 49.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.256 178.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.47 135.42 14.18 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.73 0.412 . . . . 0.0 110.645 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.42 138.06 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.271 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -87.85 161.57 17.45 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.6 -36.61 83.3 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.277 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -62.03 -45.82 91.91 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.829 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.409 ' HG3' HD12 ' B' ' 90' ' ' LEU . 76.9 tt0 -62.72 -45.96 90.32 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.667 178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -55.62 -39.18 70.46 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.42 -38.52 90.17 Favored 'General case' 0 C--O 1.224 -0.266 0 O-C-N 121.288 -0.882 . . . . 0.0 111.123 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' MET . . . . . 0.625 ' HG3' ' O ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -76.29 -40.35 51.86 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 121.96 0.886 . . . . 0.0 109.404 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.49 -34.43 77.76 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.579 -178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -52.48 -31.39 34.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.254 1.022 . . . . 0.0 113.38 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -4.18 57.34 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -178.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.69 151.35 47.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.118 0.872 . . . . 0.0 111.995 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -79.66 146.93 32.21 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.54 36.78 93.81 Favored Glycine 0 C--O 1.254 1.387 0 N-CA-C 114.393 0.517 . . . . 0.0 114.393 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.34 138.51 57.95 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 125.572 1.549 . . . . 0.0 112.072 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.2 p -127.55 177.78 6.54 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -75.63 -4.82 42.29 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.475 1.109 . . . . 0.0 111.55 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 87' ' ' ARG . 27.9 mtm105 -121.65 30.75 6.56 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.017 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.4 m -95.49 139.21 32.09 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -144.43 161.62 38.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' B' ' 77' ' ' MET . 83.9 mt -83.23 117.1 22.71 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.28 -0.968 . . . . 0.0 108.552 171.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.73 -30.95 60.2 Favored Glycine 0 C--O 1.254 1.347 0 N-CA-C 116.063 1.185 . . . . 0.0 116.063 -174.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p -66.67 -12.33 57.82 Favored 'General case' 0 C--O 1.246 0.908 0 O-C-N 120.171 -1.782 . . . . 0.0 112.089 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -97.71 -8.66 28.2 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.45 0.7 . . . . 0.0 112.707 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 mm -106.25 120.41 57.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 119.937 -0.705 . . . . 0.0 109.687 -174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . 0.515 ' OG ' ' C ' ' B' ' 26' ' ' GLY . 43.3 t -105.63 146.68 29.37 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 124.362 1.039 . . . . 0.0 111.354 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.83 135.62 57.43 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -173.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' THR . . . . . . . . . . . . . 48.5 p -126.86 167.44 15.82 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -52.18 -45.68 65.22 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 111.927 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.63 -15.48 39.94 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 48.2 mtt -88.82 -1.09 57.91 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ASP . . . . . 0.466 ' HA ' ' HB ' ' B' ' 7' ' ' ILE . 15.8 t0 -54.66 130.86 41.91 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.169 -1.412 . . . . 0.0 108.761 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 69.75 7.76 6.39 Favored 'General case' 0 N--CA 1.425 -1.723 0 C-N-CA 125.887 1.675 . . . . 0.0 115.015 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 12.8 ptt? -65.68 164.17 14.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.268 1.032 . . . . 0.0 111.054 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' THR . . . . . . . . . . . . . 62.4 m -122.64 134.51 54.5 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.986 173.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.5 m -117.58 153.27 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ARG . . . . . 0.406 ' HB3' ' HB ' ' B' ' 58' ' ' ILE . 60.0 ttm-85 -116.44 133.29 56.19 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 124.853 1.346 . . . . 0.0 111.633 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 47.7 t -92.72 115.29 64.62 Favored Pre-proline 0 C--O 1.179 -2.644 0 CA-C-O 123.639 1.685 . . . . 0.0 107.696 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . 0.531 ' HG3' ' CE1' ' B' ' 56' ' ' HIS . 31.1 Cg_endo . . . . . 0 C--N 1.375 1.943 0 CA-C-N 111.832 -1.882 . . . . 0.0 113.658 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HEC . . . . . 0.582 HBC3 HMC1 ' A' ' 104' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' FES . . . . . 0.409 ' S1 ' ' HA ' ' B' ' 50' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_