data_2jpp_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 2jpp _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 ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.477 HH11 HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.449 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.519 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.519 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.425 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.401 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' B' ' 44' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.429 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -60.18 -39.3 86.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.51 -17.36 51.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.47 0.308 . . . . 0.0 111.512 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -71.16 -26.84 63.16 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.72 -35.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 123.792 0.837 . . . . 0.0 109.994 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -70.55 -1.8 12.14 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.145 0.578 . . . . 0.0 112.093 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.942 0.897 . . . . 0.0 110.624 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.493 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 15.7 ptp180 -89.25 168.12 12.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.44 -36.56 83.1 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.88 4.13 23.58 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.415 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 6.9 mm -127.67 -31.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.845 0.858 . . . . 0.0 110.826 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.94 -44.47 95.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -72.84 -10.25 59.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.98 0.512 . . . . 0.0 111.571 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -83.7 -11.74 56.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.184 0.594 . . . . 0.0 111.312 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -76.84 -37.64 28.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.439 0.696 . . . . 0.0 111.07 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -63.46 -10.36 17.01 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . 0.413 HO2' " H5'" ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 99.822 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.413 " H5'" HO2' ' C' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.507 -3.193 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' C' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.301 -3.399 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.402 " H5'" HO2' ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.739 -3.961 . 0.856 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.535 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.699 -4.001 . 0.724 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.535 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.833 -3.867 . 0.748 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.736 -2.964 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.987 -2.713 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.43 4.23 . 0.24 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 110.418 -3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.429 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.463 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C5'-C4'-C3' 106.897 -5.735 . 0.159 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.232 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.463 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.977 -2.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.474 HO2' " H5'" ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.526 -3.174 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.474 " H5'" HO2' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.215 -3.485 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.429 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.348 -3.352 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.429 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.234 -3.466 . 0.85 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.407 " H5'" HO2' ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.218 -3.482 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.738 -2.962 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.826 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.923 -3.777 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 98.895 -3.805 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.54 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.567 1 C4'-C3'-C2' 98.45 -4.25 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.547 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C4'-C3'-C2' 98.631 -4.069 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.547 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 C4'-C3'-C2' 98.555 -4.145 . 0.71 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 O4'-C1'-N19 110.981 2.781 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 107.595 -5.27 . 0.848 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . 0.493 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.565 2.365 . 0.599 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . 0.493 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-C2' 101.505 -3.497 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.493 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 114.806 6.606 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.433 " H5'" " C3'" ' D' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 O4'-C1'-N19 112.451 4.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.426 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 100.212 -2.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.446 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.773 -2.927 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.446 " H5'" HO2' ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.3 -3.4 . 0.87 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.173 -3.527 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.941 -3.759 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.448 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 98.839 -3.861 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.448 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.206 3.006 . 0.731 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.424 ' CD1' " H4'" ' C' ' 13' ' ' ' U' . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.477 HH11 HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.23 -39.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -72.61 -15.2 61.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -72.11 -40.5 68.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.01 0.368 . . . . 1.0 110.152 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.84 -32.13 42.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.03 0 C-N-CA 124.88 1.272 . . . . 1.0 111.029 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -71.88 0.14 9.89 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.266 0.469 . . . . 1.0 112.266 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 123.649 0.78 . . . . 1.0 111.505 176.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.443 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 6.6 ptm180 -79.63 162.16 25.45 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.0 -23.8 61.46 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.304 -0.247 . . . . 1.0 111.605 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -77.28 -9.46 58.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.577 0.351 . . . . 1.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.455 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 2.8 mt -133.94 -17.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 112.51 0.559 . . . . 1.0 112.51 -174.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.23 -35.46 80.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.406 -0.809 . . . . 1.0 109.24 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -80.29 -17.46 52.06 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.722 0.409 . . . . 1.0 111.017 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -70.97 -22.74 62.16 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.167 0.587 . . . . 1.0 109.978 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.87 -42.29 77.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 123.586 0.754 . . . . 1.0 109.289 174.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -77.78 -0.44 27.06 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.571 0.748 . . . . 1.0 112.034 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -175.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.627 -3.073 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.45 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.975 -3.725 . 0.835 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.464 HO2' " H5'" ' C' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.016 -3.684 . 0.791 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.497 HO2' " H5'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.964 -3.736 . 0.797 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.552 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.786 -3.914 . 0.74 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.552 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 112.436 4.236 . 0.667 1a . 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C5'-C4'-O4' 113.239 2.885 . 0.721 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 1 C5'-C4'-C3' 108.292 -4.805 . 0.723 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 111.153 2.953 . 0.064 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 109.897 -3.736 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.436 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 113.466 5.266 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 107.227 -5.515 . 0.2 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . 0.424 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.485 HO2' " H5'" ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.665 -3.035 . 0.901 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.512 HO2' " H5'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.268 -3.432 . 0.84 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.512 " H5'" HO2' ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.316 -3.384 . 0.788 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.457 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.14 -3.56 . 0.836 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.472 HO2' " H5'" ' C' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.268 -3.432 . 0.832 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . 0.472 " H5'" HO2' ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.642 -3.058 . 0.778 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.635 -3.065 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.946 -3.754 . 0.824 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.416 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.129 -3.571 . 0.765 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.426 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 98.89 -3.81 . 0.844 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.476 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 98.479 -4.221 . 0.769 1a . 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.476 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.773 -3.927 . 0.703 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.344 3.144 . 0.751 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.939 -2.761 . 0.79 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 O4'-C1'-N19 113.387 5.187 . 0.303 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C5'-C4'-C3' 111.3 -2.8 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.443 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 O4'-C1'-N19 114.995 6.795 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C5'-C4'-C3' 107.047 -5.635 . 0.066 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 1 C5'-C4'-C3' 107.858 -5.095 OUTLIER-EPSILON 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 P-O3'-C3' 125.504 4.836 . 0.0 OUTLIER epsilon-1 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.408 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.56 -3.14 . 0.802 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.408 " H5'" HO2' ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.23 -3.47 . 0.883 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.22 -3.48 . 0.809 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.005 -3.695 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.463 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.088 -3.612 . 0.83 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.463 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.569 -3.131 . 0.747 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.86 -60.84 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.84 -16.72 64.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.596 0.221 . . . . 1.0 111.596 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -72.1 -17.22 62.0 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.52 0.328 . . . . 1.0 110.924 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.0 mt -75.12 -42.41 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.081 0.552 . . . . 1.0 109.788 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.29 -14.6 58.91 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.271 -0.268 . . . . 1.0 111.272 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -179.146 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.456 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.449 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 144.58 51.32 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 39.89 -83.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 127.183 2.193 . . . . 1.0 114.049 -174.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.17 4.74 5.27 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.157 0.583 . . . . 1.0 112.459 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -56.4 -26.08 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.095 0.958 . . . . 1.0 111.46 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -73.06 -52.81 12.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.192 0.451 . . . . 1.0 110.454 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.13 -19.05 65.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.313 0.245 . . . . 1.0 111.195 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -66.57 -22.64 66.14 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.131 0.572 . . . . 1.0 111.033 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.91 -36.27 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.988 0.515 . . . . 1.0 109.731 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -72.0 -1.8 15.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.353 0.661 . . . . 1.0 111.955 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 123.818 0.847 . . . . 1.0 110.945 178.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.729 -2.971 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.471 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 98.849 -3.851 . 0.832 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.471 " H5'" HO2' ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.537 -3.163 . 0.764 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.448 HO2' " H5'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C4'-C3'-C2' 98.653 -4.047 . 0.834 1a . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.576 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.111 -4.589 . 0.742 1a . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.576 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.924 3.724 . 0.637 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-O4' 112.949 2.678 . 0.759 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 C5'-C4'-C3' 109.434 -4.044 . 0.121 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.418 4.218 . 0.312 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.433 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 115.426 7.226 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.443 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 106.786 -5.809 . 0.046 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 109.361 -4.093 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.443 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.132 -3.568 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.265 -3.435 . 0.866 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.5 HO2' " H5'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 98.905 -3.795 . 0.842 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.5 " H5'" HO2' ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.827 -3.873 . 0.767 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.438 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.59 3.39 . 0.83 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.187 -3.513 . 0.816 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.673 -3.027 . 0.752 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.713 -2.987 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.463 HO2' " H5'" ' D' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.097 -3.603 . 0.833 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.463 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.21 -3.49 . 0.793 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.45 " H5'" HO2' ' D' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 98.869 -3.831 . 0.826 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.749 -3.951 . 0.731 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.439 HO2' " H5'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 98.78 -3.92 . 0.739 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.439 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.443 3.243 . 0.745 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.853 -2.431 . 0.791 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.103 3.903 . 0.228 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 110.848 -3.102 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.456 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 114.984 6.784 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.431 ' N1 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C5'-C4'-C3' 106.949 -5.701 . 0.081 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.819 -3.787 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.431 " H1'" ' N1 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.377 -3.323 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.479 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.273 -3.427 . 0.833 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.504 HO2' " H5'" ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.25 -3.45 . 0.788 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.504 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.719 -2.981 . 0.764 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.407 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.234 -3.466 . 0.84 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.468 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.28 -3.42 . 0.838 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.468 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.651 -3.049 . 0.784 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.473 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -64.33 -59.06 4.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.24 -13.38 60.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -75.95 -13.57 60.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.17 0.588 . . . . 0.0 111.167 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -74.59 -43.48 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.119 0.567 . . . . 0.0 110.541 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -69.56 -10.04 56.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.387 0.275 . . . . 0.0 111.581 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.804 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.519 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.519 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.425 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.436 ' HD3' ' HB ' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.52 165.63 13.69 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.79 -39.36 65.38 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -76.76 -1.65 29.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.077 0.551 . . . . 0.0 112.341 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' HD3' ' B' ' 44' ' ' ARG . 9.1 mm -133.41 -33.83 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.084 0.554 . . . . 0.0 112.378 -169.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.83 -39.31 93.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.553 0.615 . . . . 0.0 109.778 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.76 -17.04 57.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.363 0.265 . . . . 0.0 110.743 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -76.3 -24.13 54.36 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.808 0.443 . . . . 0.0 110.359 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.7 -47.25 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.22 -5.01 28.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.033 0.533 . . . . 0.0 111.952 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.071 -3.629 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.435 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.06 -3.64 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.435 " H5'" HO2' ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.76 -2.94 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.069 -3.631 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.489 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C4'-C3'-C2' 98.448 -4.252 . 0.738 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.489 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 98.793 -3.907 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.472 -3.228 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.308 -2.392 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 112.031 3.831 . 0.308 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.585 -3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.473 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 115.052 6.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.484 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.821 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.484 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C5'-C4'-C3' 111.653 -2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.411 HO2' " H5'" ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.622 -3.078 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.411 " H5'" HO2' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.283 -3.417 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.415 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.318 -3.382 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.415 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.172 -3.528 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.457 HO2' " H5'" ' C' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.762 3.562 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . 0.457 " H5'" HO2' ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.706 -2.994 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 N19-C1'-C2' 108.732 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.401 -3.299 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.409 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.131 -3.569 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.478 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C4'-C3'-C2' 98.696 -4.004 . 0.835 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.497 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.53 1 C4'-C3'-C2' 98.444 -4.256 . 0.74 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.497 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.784 -3.916 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.518 -3.182 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.553 -3.147 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.254 4.054 . 0.257 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 O4'-C1'-N19 112.214 4.014 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.436 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.419 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C5'-C4'-C3' 107.31 -5.46 . 0.211 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.419 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.83 -2.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.405 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.464 -3.236 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.495 HO2' " H5'" ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.024 -3.676 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.495 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 98.887 -3.813 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.464 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.109 -3.591 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.48 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 O4'-C1'-N19 111.74 3.54 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.48 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.727 -2.973 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.56 -51.84 52.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.47 -11.82 46.71 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.216 0.606 . . . . 0.0 111.53 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -82.1 20.85 0.96 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.152 1.381 . . . . 0.0 111.644 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.4 mt -128.5 -53.58 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.5 mp0 -63.71 -16.8 62.04 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -170.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 118.14 0.427 . . . . 0.0 112.056 -179.18 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.462 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.438 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -95.81 19.22 11.69 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' B' ' 47' ' ' ILE . 8.3 mm-40 70.54 -56.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.276 1.83 . . . . 0.0 112.597 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.52 0.49 2.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.147 0.579 . . . . 0.0 111.404 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.419 ' H ' ' C ' ' B' ' 45' ' ' GLU . 9.1 mm -125.07 -13.84 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.221 1.408 . . . . 0.0 110.289 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -84.15 -43.48 14.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.29 -14.05 61.41 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.621 0.368 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.78 -42.22 86.39 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -68.73 -28.45 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.853 0.861 . . . . 0.0 109.905 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -81.33 2.81 26.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.487 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.47 0.708 . . . . 0.0 111.607 179.578 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.432 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.061 -3.639 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.432 " H5'" HO2' ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.825 -2.875 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.46 HO2' " H5'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.146 -3.554 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.46 " H5'" HO2' ' C' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 C4'-C3'-C2' 98.319 -4.381 . 0.779 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.498 HO2' " H5'" ' C' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.888 -3.812 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . 0.498 " H5'" HO2' ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.467 -3.233 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.661 -3.039 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 O4'-C1'-N19 113.825 5.625 . 0.14 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 110.702 -3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.437 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.941 1 O4'-C1'-N19 114.066 5.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 107.219 -5.521 . 0.204 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 107.517 -5.322 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 P-O3'-C3' 125.606 4.922 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.483 HO2' " H5'" ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.225 -3.475 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.483 " H5'" HO2' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.212 -3.488 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.408 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.269 -3.431 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.408 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.374 3.174 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.475 HO2' " H5'" ' C' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.458 -3.242 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . 0.475 " H5'" HO2' ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.611 -3.089 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.058 -3.642 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.427 " H5'" HO2' ' D' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.497 -3.203 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.412 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.384 -3.316 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.444 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 98.958 -3.742 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.444 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.915 3.715 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.503 HO2' " H5'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 C4'-C3'-C2' 98.43 -4.27 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.503 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.672 -3.028 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 100.009 -2.691 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 O4'-C1'-N19 112.242 4.042 . 0.269 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.462 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 114.688 6.488 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.449 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 106.596 -5.936 . 0.075 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.449 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 100.184 -2.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.434 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.48 -3.22 . 0.91 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.47 HO2' " H5'" ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.284 -3.416 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.47 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.515 -3.185 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.364 -3.336 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.456 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.303 -3.397 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.456 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.573 -3.127 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' HA ' ' H1 ' ' D' ' 10' ' ' ' G' . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -70.51 -47.26 61.33 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -73.04 -20.39 60.99 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.126 0.17 . . . . 0.0 111.135 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -71.85 -26.33 62.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.894 0.478 . . . . 0.0 111.03 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -72.28 -35.32 52.1 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.025 0.53 . . . . 0.0 109.716 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -67.78 -4.33 12.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.113 0.565 . . . . 0.0 112.132 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.5 0.72 . . . . 0.0 111.372 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.424 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.401 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 172.23 9.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -58.24 -53.02 62.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.121 0.968 . . . . 0.0 112.479 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -80.2 7.21 9.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -120.16 -34.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 C-N-CA 123.476 0.71 . . . . 0.0 110.373 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -68.17 -48.55 64.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -16.77 63.34 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.256 0.222 . . . . 0.0 110.985 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -75.08 -20.26 59.59 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 122.785 0.434 . . . . 0.0 110.755 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -71.08 -35.98 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -80.59 -0.88 39.79 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.339 0.656 . . . . 0.0 112.028 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.686 -3.014 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.926 -3.774 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.221 -3.479 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.868 3.668 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.549 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.485 -4.215 . 0.807 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.549 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.067 -3.633 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.323 -3.377 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.221 -3.479 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 112.101 3.901 . 0.405 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.121 -3.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.466 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.833 1 O4'-C1'-N19 114.98 6.78 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 106.369 -6.087 . 0.045 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.932 -5.045 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.186 -3.514 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.059 -3.641 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.4 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.211 -3.489 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.4 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.097 -3.603 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.238 -3.462 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.71 -2.99 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.618 3.418 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.554 HO2' " H5'" ' D' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.238 -2.462 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.554 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.797 -2.903 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 98.772 -3.928 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.547 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.235 -4.465 . 0.705 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.547 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 98.953 -3.747 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.471 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.996 2.711 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C5'-C4'-C3' 108.888 -4.408 . 0.045 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . 0.619 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C5'-C4'-O4' 112.807 2.576 . 0.47 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . 0.619 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-C2' 101.858 -3.244 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.424 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.633 4.433 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.469 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 1 C5'-C4'-C3' 107.872 -5.085 . 0.124 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.005 -3.695 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.469 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C4'-C3'-C2' 98.328 -4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.557 -3.143 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.284 -3.416 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.169 -3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 3 O4'-C1'-N19 112.688 4.488 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 100.412 -2.288 . 0.293 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.402 HD12 ' C8 ' ' C' ' 12' ' ' ' A' . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' ARG . 71.4 t80 -69.13 -41.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -74.42 16.05 0.29 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.466 1.107 . . . . 0.0 111.18 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' H ' ' C ' ' A' ' 48' ' ' TYR . 46.3 ttt180 -122.19 13.71 10.45 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.835 1.254 . . . . 0.0 110.91 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -118.88 -52.84 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 112.711 -172.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.71 -3.29 1.04 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 118.561 0.619 . . . . 0.0 112.394 -175.269 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' C2 ' ' C' ' 13' ' ' ' U' . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.422 ' HD2' HG13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -119.91 164.87 15.4 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.56 -33.27 69.74 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 -2.21 29.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 111.655 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.426 HD12 ' C6 ' ' C' ' 9' ' ' ' C' . 21.2 mm -132.55 -23.85 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 124.082 0.953 . . . . 0.0 111.519 -170.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.429 ' C ' ' H ' ' B' ' 50' ' ' ARG . 66.9 t80 -69.22 -40.29 78.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -71.83 12.29 0.41 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.393 1.077 . . . . 0.0 111.677 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.485 ' HG2' ' H42' ' C' ' 9' ' ' ' C' . 65.8 ttt180 -127.44 2.64 6.27 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.073 0.949 . . . . 0.0 111.355 -176.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -94.87 -49.36 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.438 -0.789 . . . . 0.0 112.819 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -56.29 -5.2 0.18 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -172.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 119.281 0.946 . . . . 0.0 112.912 -175.404 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.261 -3.439 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.322 -3.378 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.478 HO2' " H5'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 C4'-C3'-C2' 98.611 -4.089 . 0.875 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.478 " H5'" HO2' ' C' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.437 1 C4'-C3'-C2' 98.461 -4.239 . 0.716 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 O4'-C1'-N19 112.42 4.22 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-N19 110.996 2.796 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 C5'-C4'-C3' 107.728 -5.181 . 0.643 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . 0.485 ' H42' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.734 3.534 . 0.433 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.011 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.43 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.105 4.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.429 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 C5'-C4'-C3' 107.866 -5.089 . 0.178 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . 0.403 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.66 1 C5'-C4'-C3' 108.603 -4.598 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.429 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.281 -2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.507 -3.193 . 0.939 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.525 HO2' " H5'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.403 -3.297 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.525 " H5'" HO2' ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.687 -3.013 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.375 -3.325 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.505 3.305 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.678 -3.022 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.436 HO2' " H5'" ' D' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.082 -3.618 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.436 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.386 -3.314 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.206 -3.494 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 98.87 -3.83 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.437 HO2' " H5'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.676 -4.024 . 0.754 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.437 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.472 -3.228 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.988 -2.712 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 112.176 3.976 . 0.297 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.458 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 115.039 6.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C5'-C4'-C3' 106.503 -5.998 . 0.06 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.796 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.421 " H5'" HO2' ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.303 3.103 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.443 -3.257 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.411 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.438 -3.262 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.411 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.182 -3.518 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.469 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.357 -3.343 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.469 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.695 -3.005 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' CD1' " H4'" ' C' ' 13' ' ' ' U' . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' CE1' ' H21' ' D' ' 10' ' ' ' G' . 61.3 m-70 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -63.3 -42.0 99.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -76.24 -16.1 59.89 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.458 0.303 . . . . 0.0 111.024 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -77.89 -22.37 49.85 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.699 0.4 . . . . 0.0 110.791 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.01 -31.48 53.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 123.584 0.753 . . . . 0.0 109.95 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -68.49 -2.55 8.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.478 0.711 . . . . 0.0 112.244 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.426 0.69 . . . . 0.0 111.413 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.4 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.78 12.35 0.52 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 63.98 1.42 1.15 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 0.0 113.206 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -126.07 7.03 7.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.477 -0.764 . . . . 0.0 109.865 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -9.49 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -70.9 -35.76 72.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.24 -19.19 61.75 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 122.117 -0.364 . . . . 0.0 111.093 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -69.15 -16.58 63.68 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.924 0.49 . . . . 0.0 110.513 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.26 -37.25 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.051 0 C-N-CA 123.561 0.744 . . . . 0.0 110.427 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.05 -7.29 21.65 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.419 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.093 -3.607 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.457 HO2' " H5'" ' C' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.127 -3.573 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.457 " H5'" HO2' ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.562 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.566 -4.134 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.562 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C4'-C3'-C2' 98.696 -4.004 . 0.677 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . 0.402 HO2' " H5'" ' C' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 108.723 -4.518 . 0.607 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . 0.464 " H4'" ' C4 ' ' C' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 110.834 2.634 . 0.066 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . 0.464 ' C4 ' " H4'" ' C' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.588 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.472 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 113.015 4.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.4 ' N1 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C5'-C4'-C3' 106.987 -5.675 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . 0.421 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.036 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.437 HO2' " H5'" ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.464 HO2' " H5'" ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.592 -3.108 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.464 " H5'" HO2' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.398 -3.302 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.436 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.518 -3.182 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.436 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.208 -3.492 . 0.843 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.472 HO2' " H5'" ' C' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.293 -3.407 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . 0.472 " H5'" HO2' ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.474 -3.226 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.429 HO2' " H5'" ' D' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.112 -3.588 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.429 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.744 -2.956 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.483 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.771 -3.929 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.497 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C4'-C3'-C2' 98.399 -4.301 . 0.726 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.497 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 98.717 -3.983 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.44 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.776 -2.924 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.803 -2.897 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 112.756 4.556 . 0.232 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . 0.406 ' H21' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 110.736 -3.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.4 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 113.52 5.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.48 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C5'-C4'-C3' 107.166 -5.556 . 0.224 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.01 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.48 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 111.689 -2.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.019 2.819 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.278 -3.422 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.081 -3.619 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.538 3.338 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.206 -3.494 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.666 -3.034 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -72.34 -43.96 63.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.49 -3.48 11.65 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.939 0.496 . . . . 0.0 111.175 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -95.71 5.97 50.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.878 1.271 . . . . 0.0 110.96 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -103.51 -89.16 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.08 0.552 . . . . 0.0 111.245 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.553 ' H ' ' CD ' ' A' ' 52' ' ' GLN . 2.1 pm0 -69.18 -8.67 47.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.6 1.16 . . . . 0.0 113.672 -172.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 CA-C-N 118.206 0.457 . . . . 0.0 111.658 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.416 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.446 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 4.8 ptm180 -80.78 156.42 26.2 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.69 -22.32 66.08 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.15 -7.25 59.65 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.615 0.366 . . . . 0.0 111.678 -178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.446 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 3.2 mt -131.15 -13.28 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.74 -42.97 94.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.301 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.16 -14.36 62.61 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.074 0.55 . . . . 0.0 111.649 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -77.81 3.05 15.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.443 1.097 . . . . 0.0 111.764 -178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 78.2 mt -104.89 -51.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.569 ' NE2' ' H ' ' B' ' 52' ' ' GLN . 3.0 mp0 -67.5 -10.41 51.36 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -171.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -175.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.779 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.51 HO2' " H5'" ' C' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.912 -3.788 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . 0.51 " H5'" HO2' ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.595 2.395 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C4'-C3'-C2' 98.645 -4.055 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 2 C4'-C3'-C2' 98.218 -4.482 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.509 HO2' " H5'" ' C' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C4'-C3'-C2' 98.711 -3.989 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . 0.509 " H5'" HO2' ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 O4'-C1'-N19 110.704 2.504 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 109.68 -3.88 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.3 4.1 . 0.294 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.625 -3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.449 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 113.507 5.307 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 107.313 -5.458 . 0.181 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.624 3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.35 -3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.506 -3.194 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 98.942 -3.758 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.413 HO2' " H5'" ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.056 -3.644 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.413 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.162 -3.538 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.401 " H5'" HO2' ' C' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.532 3.332 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.612 -3.088 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . 0.417 HO2' " H5'" ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.062 -3.638 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.417 " H5'" HO2' ' D' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.042 -3.658 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . 0.41 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.245 -3.455 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.531 HO2' " H5'" ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 C4'-C3'-C2' 98.586 -4.114 . 0.864 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.531 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C4'-C3'-C2' 98.524 -4.176 . 0.708 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.428 HO2' " H5'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 98.914 -3.786 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.428 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.258 -3.442 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.72 -2.98 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.85 3.65 . 0.29 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 C4'-C3'-C2' 99.397 -3.303 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.416 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C5'-C4'-C3' 108.645 -4.57 . 0.174 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.466 HO2' " H5'" ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C4'-C3'-C2' 97.922 -4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.466 " H5'" HO2' ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.054 -3.646 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.425 " H5'" HO2' ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.559 -3.141 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.317 -3.383 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.218 -3.482 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.448 HO2' " H5'" ' D' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.208 -3.492 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . 0.448 " H5'" HO2' ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.707 -2.993 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.37 -46.03 74.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -67.98 -7.15 26.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.919 0.488 . . . . 0.0 111.165 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -90.28 12.03 19.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.581 1.153 . . . . 0.0 111.233 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -112.73 -91.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 122.989 0.516 . . . . 0.0 111.687 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' CD ' ' H ' ' A' ' 52' ' ' GLN . 2.6 pm0 -62.21 -4.63 1.83 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.678 1.191 . . . . 0.0 114.084 -171.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 118.436 0.562 . . . . 0.0 111.49 176.524 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.472 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.515 ' HD3' ' CG1' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.88 104.67 10.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 41.95 -98.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.14 1.776 . . . . 0.0 113.182 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.64 -25.83 66.77 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.515 ' CG1' ' HD3' ' B' ' 44' ' ' ARG . 17.7 mm -62.05 -26.06 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 118.226 0.466 . . . . 0.0 111.078 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.72 -49.22 60.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.25 0.477 . . . . 0.0 110.394 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.32 -18.52 60.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 122.329 -0.232 . . . . 0.0 111.283 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -72.3 -19.49 61.66 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.859 0.463 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 70.5 mt -69.02 -31.66 51.29 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.075 0.55 . . . . 0.0 109.76 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.84 -9.16 42.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 118.119 0.418 . . . . 0.0 110.744 174.608 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.016 -3.684 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.42 " H5'" HO2' ' C' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.227 -3.473 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 110.572 2.372 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' C' . . . . . 0.446 HO2' " H5'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C4'-C3'-C2' 98.36 -4.34 . 0.703 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.619 HO2' " H5'" ' C' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 C4'-C3'-C2' 98.053 -4.647 . 0.702 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' U' . . . . . 0.619 " H5'" HO2' ' C' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 112.169 3.969 . 0.583 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C5'-C4'-O4' 112.802 2.573 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C5'-C4'-C3' 108.983 -4.345 . 0.153 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 1 O4'-C1'-N19 112.567 4.367 . 0.311 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.816 -3.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' G' . . . . . 0.448 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.896 4.696 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' A' . . . . . 0.511 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.297 -4.802 . 0.15 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' U' . . . . . 0.505 H5'' " C2'" ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 O5'-C5'-C4' 115.846 4.033 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' G' . . . . . 0.511 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.243 0 C4'-C3'-C2' 98.99 -3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.662 3.462 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' A' . . . . . 0.507 HO2' " H5'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 C4'-C3'-C2' 98.671 -4.029 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.507 " H5'" HO2' ' C' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.034 -3.666 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' C' . . . . . 0.405 " H5'" HO2' ' C' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.026 -3.674 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.489 HO2' " H5'" ' C' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.131 -3.569 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' C' . . . . . 0.489 " H5'" HO2' ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.718 -2.982 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.701 -2.999 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.065 -3.635 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.278 -3.422 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.846 -3.854 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' U' . . . . . 0.52 HO2' " H5'" ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 C4'-C3'-C2' 98.459 -4.241 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' U' . . . . . 0.52 " H5'" HO2' ' D' ' 5' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 98.818 -3.882 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.435 " H5'" HO2' ' D' ' 6' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 110.937 2.737 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' C' . . . . . 0.546 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.094 -2.606 . 0.277 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' G' . . . . . 0.546 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-C2' 102.147 -3.038 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' G' . . . . . 0.472 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.559 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 105.633 -6.578 . 0.094 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 110.035 -3.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' G' . . . . . 0.559 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.054 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' A' . . . . . 0.406 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.399 -3.301 . 0.962 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.406 " H5'" HO2' ' D' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.066 -3.634 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' G' . . . . . 0.455 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.242 -3.458 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.455 " H5'" HO2' ' D' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.151 -3.549 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.372 -3.328 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.814 -2.886 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 69.7 m-80 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.534 HH11 HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.534 HD11 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 34' ' ' ILE . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.425 HD12 ' H ' ' B' ' 3' ' ' ILE . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 6' ' ' ARG . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' B' ' 24' ' ' GLY . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 13' ' ' ASN . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.413 ' N ' HG22 ' B' ' 12' ' ' ILE . 70.2 m-80 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' B' ' 8' ' ' VAL . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.445 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 HG13 ' B' ' 42' ' ' VAL . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.413 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.529 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.529 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.415 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.41 ' N ' HD12 ' B' ' 34' ' ' ILE . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.521 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 3' ' ' ILE . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' B' ' 12' ' ' ILE . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.488 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' B' ' 12' ' ' ILE . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.547 ' N ' HD13 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -60.18 -39.3 86.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.51 -17.36 51.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.47 0.308 . . . . 0.0 111.512 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -71.16 -26.84 63.16 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.72 -35.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 123.792 0.837 . . . . 0.0 109.994 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -70.55 -1.8 12.14 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.145 0.578 . . . . 0.0 112.093 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.942 0.897 . . . . 0.0 110.624 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.459 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 69.7 m-80 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 15.7 ptp180 -89.25 168.12 12.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.44 -36.56 83.1 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.88 4.13 23.58 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.403 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 6.9 mm -127.67 -31.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.845 0.858 . . . . 0.0 110.826 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.94 -44.47 95.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -72.84 -10.25 59.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.98 0.512 . . . . 0.0 111.571 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -83.7 -11.74 56.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.184 0.594 . . . . 0.0 111.312 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -76.84 -37.64 28.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.439 0.696 . . . . 0.0 111.07 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -63.46 -10.36 17.01 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 99.822 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.507 -3.193 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.301 -3.399 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.739 -3.961 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.699 -4.001 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.833 -3.867 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.736 -2.964 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.987 -2.713 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.43 4.23 . 0.24 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 110.418 -3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.446 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.449 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C5'-C4'-C3' 106.897 -5.735 . 0.159 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.232 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.449 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.977 -2.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.526 -3.174 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.215 -3.485 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.348 -3.352 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.234 -3.466 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.218 -3.482 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.738 -2.962 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.826 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.923 -3.777 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 98.895 -3.805 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 1 C4'-C3'-C2' 98.45 -4.25 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C4'-C3'-C2' 98.631 -4.069 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 C4'-C3'-C2' 98.555 -4.145 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 O4'-C1'-N19 110.981 2.781 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 107.595 -5.27 . 0.848 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . 0.481 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.565 2.365 . 0.599 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . 0.481 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-C2' 101.505 -3.497 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.459 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 114.806 6.606 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.458 " H5'" " C3'" ' D' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 O4'-C1'-N19 112.451 4.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.414 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 100.212 -2.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.773 -2.927 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.3 -3.4 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.173 -3.527 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.941 -3.759 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 98.839 -3.861 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.206 3.006 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CD1' " H4'" ' C' ' 13' ' ' ' U' . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.534 HH11 HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD11 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 34' ' ' ILE . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.23 -39.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -72.61 -15.2 61.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -72.11 -40.5 68.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.01 0.368 . . . . 1.0 110.152 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.84 -32.13 42.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.03 0 C-N-CA 124.88 1.272 . . . . 1.0 111.029 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -71.88 0.14 9.89 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.266 0.469 . . . . 1.0 112.266 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 123.649 0.78 . . . . 1.0 111.505 176.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.402 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.425 HD12 ' H ' ' B' ' 3' ' ' ILE . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 6.6 ptm180 -79.63 162.16 25.45 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.0 -23.8 61.46 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.304 -0.247 . . . . 1.0 111.605 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -77.28 -9.46 58.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.577 0.351 . . . . 1.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 2.8 mt -133.94 -17.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 112.51 0.559 . . . . 1.0 112.51 -174.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.23 -35.46 80.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.406 -0.809 . . . . 1.0 109.24 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -80.29 -17.46 52.06 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.722 0.409 . . . . 1.0 111.017 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -70.97 -22.74 62.16 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.167 0.587 . . . . 1.0 109.978 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.87 -42.29 77.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 123.586 0.754 . . . . 1.0 109.289 174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -77.78 -0.44 27.06 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.571 0.748 . . . . 1.0 112.034 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -175.902 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.627 -3.073 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.975 -3.725 . 0.835 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.016 -3.684 . 0.791 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.964 -3.736 . 0.797 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.786 -3.914 . 0.74 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 112.436 4.236 . 0.667 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C5'-C4'-O4' 113.239 2.885 . 0.721 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 1 C5'-C4'-C3' 108.292 -4.805 . 0.723 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 111.153 2.953 . 0.064 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 109.897 -3.736 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.443 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 113.466 5.266 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 107.227 -5.515 . 0.2 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . 0.435 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.665 -3.035 . 0.901 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.268 -3.432 . 0.84 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.316 -3.384 . 0.788 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.14 -3.56 . 0.836 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.268 -3.432 . 0.832 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.642 -3.058 . 0.778 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.635 -3.065 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.946 -3.754 . 0.824 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.129 -3.571 . 0.765 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 98.89 -3.81 . 0.844 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 98.479 -4.221 . 0.769 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.773 -3.927 . 0.703 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.344 3.144 . 0.751 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.939 -2.761 . 0.79 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 O4'-C1'-N19 113.387 5.187 . 0.303 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C5'-C4'-C3' 111.3 -2.8 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.402 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 O4'-C1'-N19 114.995 6.795 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C5'-C4'-C3' 107.047 -5.635 . 0.066 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 1 C5'-C4'-C3' 107.858 -5.095 OUTLIER-EPSILON 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 P-O3'-C3' 125.504 4.836 . 0.0 OUTLIER epsilon-1 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.56 -3.14 . 0.802 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.23 -3.47 . 0.883 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.22 -3.48 . 0.809 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.005 -3.695 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.088 -3.612 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.569 -3.131 . 0.747 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.86 -60.84 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.84 -16.72 64.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.596 0.221 . . . . 1.0 111.596 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -72.1 -17.22 62.0 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.52 0.328 . . . . 1.0 110.924 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.0 mt -75.12 -42.41 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.081 0.552 . . . . 1.0 109.788 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.29 -14.6 58.91 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.271 -0.268 . . . . 1.0 111.272 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -179.146 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.411 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 6' ' ' ARG . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' B' ' 24' ' ' GLY . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 13' ' ' ASN . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.413 ' N ' HG22 ' B' ' 12' ' ' ILE . 70.2 m-80 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' C2 ' ' C' ' 13' ' ' ' U' . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' B' ' 8' ' ' VAL . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.445 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 144.58 51.32 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 39.89 -83.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 127.183 2.193 . . . . 1.0 114.049 -174.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.17 4.74 5.27 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.157 0.583 . . . . 1.0 112.459 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -56.4 -26.08 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.095 0.958 . . . . 1.0 111.46 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -73.06 -52.81 12.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.192 0.451 . . . . 1.0 110.454 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.13 -19.05 65.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.313 0.245 . . . . 1.0 111.195 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -66.57 -22.64 66.14 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.131 0.572 . . . . 1.0 111.033 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.91 -36.27 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.988 0.515 . . . . 1.0 109.731 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -72.0 -1.8 15.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.353 0.661 . . . . 1.0 111.955 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 123.818 0.847 . . . . 1.0 110.945 178.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.729 -2.971 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 98.849 -3.851 . 0.832 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.537 -3.163 . 0.764 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C4'-C3'-C2' 98.653 -4.047 . 0.834 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.111 -4.589 . 0.742 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.924 3.724 . 0.637 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-O4' 112.949 2.678 . 0.759 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 C5'-C4'-C3' 109.434 -4.044 . 0.121 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.418 4.218 . 0.312 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 115.426 7.226 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.436 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 106.786 -5.809 . 0.046 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . 0.403 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 109.361 -4.093 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.436 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.132 -3.568 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.265 -3.435 . 0.866 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 98.905 -3.795 . 0.842 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.827 -3.873 . 0.767 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.59 3.39 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.187 -3.513 . 0.816 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.673 -3.027 . 0.752 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.713 -2.987 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.097 -3.603 . 0.833 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.21 -3.49 . 0.793 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 98.869 -3.831 . 0.826 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.749 -3.951 . 0.731 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 98.78 -3.92 . 0.739 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.443 3.243 . 0.745 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.853 -2.431 . 0.791 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.103 3.903 . 0.228 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 110.848 -3.102 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.411 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 114.984 6.784 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.433 ' N1 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C5'-C4'-C3' 106.949 -5.701 . 0.081 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.819 -3.787 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.433 " H1'" ' N1 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.377 -3.323 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.273 -3.427 . 0.833 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.25 -3.45 . 0.788 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.719 -2.981 . 0.764 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.234 -3.466 . 0.84 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.28 -3.42 . 0.838 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.651 -3.049 . 0.784 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.413 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -64.33 -59.06 4.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.24 -13.38 60.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -75.95 -13.57 60.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.17 0.588 . . . . 0.0 111.167 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -74.59 -43.48 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.119 0.567 . . . . 0.0 110.541 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -69.56 -10.04 56.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.387 0.275 . . . . 0.0 111.581 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.804 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.448 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 13' ' ' ' U' . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.529 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.529 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.464 ' HD3' ' HB ' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.52 165.63 13.69 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.79 -39.36 65.38 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -76.76 -1.65 29.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.077 0.551 . . . . 0.0 112.341 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.475 HD12 ' C6 ' ' C' ' 9' ' ' ' C' . 9.1 mm -133.41 -33.83 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.084 0.554 . . . . 0.0 112.378 -169.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.83 -39.31 93.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.553 0.615 . . . . 0.0 109.778 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.76 -17.04 57.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.363 0.265 . . . . 0.0 110.743 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -76.3 -24.13 54.36 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.808 0.443 . . . . 0.0 110.359 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.7 -47.25 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.22 -5.01 28.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.033 0.533 . . . . 0.0 111.952 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.071 -3.629 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.06 -3.64 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.76 -2.94 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.069 -3.631 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C4'-C3'-C2' 98.448 -4.252 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 98.793 -3.907 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.472 -3.228 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.308 -2.392 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . 0.475 ' C6 ' HD12 ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 112.031 3.831 . 0.308 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.585 -3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.486 " C3'" " H5'" ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 115.052 6.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.486 " H5'" " C3'" ' C' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.821 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C5'-C4'-C3' 111.653 -2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.622 -3.078 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.283 -3.417 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.318 -3.382 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.172 -3.528 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.762 3.562 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.706 -2.994 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 N19-C1'-C2' 108.732 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.401 -3.299 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.131 -3.569 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C4'-C3'-C2' 98.696 -4.004 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 1 C4'-C3'-C2' 98.444 -4.256 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.784 -3.916 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.518 -3.182 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.553 -3.147 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.254 4.054 . 0.257 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 O4'-C1'-N19 112.214 4.014 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.448 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.403 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C5'-C4'-C3' 107.31 -5.46 . 0.211 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . 0.412 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.403 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.83 -2.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.464 -3.236 . 0.914 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.024 -3.676 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 98.887 -3.813 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.109 -3.591 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 O4'-C1'-N19 111.74 3.54 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.727 -2.973 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.56 -51.84 52.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.47 -11.82 46.71 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.216 0.606 . . . . 0.0 111.53 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -82.1 20.85 0.96 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.152 1.381 . . . . 0.0 111.644 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.4 mt -128.5 -53.58 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -63.71 -16.8 62.04 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 118.14 0.427 . . . . 0.0 112.056 -179.18 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.413 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.415 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.41 ' N ' HD12 ' B' ' 34' ' ' ILE . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -95.81 19.22 11.69 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 70.54 -56.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.276 1.83 . . . . 0.0 112.597 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.52 0.49 2.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.147 0.579 . . . . 0.0 111.404 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -125.07 -13.84 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.221 1.408 . . . . 0.0 110.289 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -84.15 -43.48 14.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.29 -14.05 61.41 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.621 0.368 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.78 -42.22 86.39 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -68.73 -28.45 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.853 0.861 . . . . 0.0 109.905 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -81.33 2.81 26.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.487 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.47 0.708 . . . . 0.0 111.607 179.578 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.061 -3.639 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.825 -2.875 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.146 -3.554 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 C4'-C3'-C2' 98.319 -4.381 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.888 -3.812 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.467 -3.233 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.661 -3.039 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 O4'-C1'-N19 113.825 5.625 . 0.14 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 110.702 -3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.454 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.941 1 O4'-C1'-N19 114.066 5.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 107.219 -5.521 . 0.204 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 107.517 -5.322 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 P-O3'-C3' 125.606 4.922 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.225 -3.475 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.212 -3.488 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.269 -3.431 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.374 3.174 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.458 -3.242 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.611 -3.089 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.058 -3.642 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.497 -3.203 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.384 -3.316 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 98.958 -3.742 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.915 3.715 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 C4'-C3'-C2' 98.43 -4.27 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.672 -3.028 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 100.009 -2.691 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 O4'-C1'-N19 112.242 4.042 . 0.269 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.413 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 114.688 6.488 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.432 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 106.596 -5.936 . 0.075 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 100.184 -2.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.48 -3.22 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.284 -3.416 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.515 -3.185 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.364 -3.336 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.303 -3.397 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.573 -3.127 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' HA ' ' H1 ' ' D' ' 10' ' ' ' G' . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.521 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -70.51 -47.26 61.33 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -73.04 -20.39 60.99 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.126 0.17 . . . . 0.0 111.135 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -71.85 -26.33 62.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.894 0.478 . . . . 0.0 111.03 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -72.28 -35.32 52.1 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.025 0.53 . . . . 0.0 109.716 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -67.78 -4.33 12.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.113 0.565 . . . . 0.0 112.132 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.5 0.72 . . . . 0.0 111.372 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.437 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 3' ' ' ILE . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 172.23 9.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -58.24 -53.02 62.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.121 0.968 . . . . 0.0 112.479 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -80.2 7.21 9.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.428 HG23 ' C6 ' ' C' ' 9' ' ' ' C' . 16.4 mm -120.16 -34.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 C-N-CA 123.476 0.71 . . . . 0.0 110.373 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -68.17 -48.55 64.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -16.77 63.34 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.256 0.222 . . . . 0.0 110.985 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -75.08 -20.26 59.59 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 122.785 0.434 . . . . 0.0 110.755 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -71.08 -35.98 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -80.59 -0.88 39.79 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.339 0.656 . . . . 0.0 112.028 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.686 -3.014 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.926 -3.774 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.221 -3.479 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.868 3.668 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.485 -4.215 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.067 -3.633 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.323 -3.377 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.221 -3.479 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . 0.428 ' C6 ' HG23 ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 112.101 3.901 . 0.405 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.121 -3.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.424 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.833 1 O4'-C1'-N19 114.98 6.78 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 106.369 -6.087 . 0.045 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.932 -5.045 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.186 -3.514 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.059 -3.641 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.211 -3.489 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.097 -3.603 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.238 -3.462 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.71 -2.99 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . 0.427 " H3'" ' H8 ' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.618 3.418 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . 0.427 ' H8 ' " H3'" ' D' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.238 -2.462 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.797 -2.903 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 98.772 -3.928 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.235 -4.465 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 98.953 -3.747 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.996 2.711 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C5'-C4'-C3' 108.888 -4.408 . 0.045 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . 0.63 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C5'-C4'-O4' 112.807 2.576 . 0.47 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . 0.63 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-C2' 101.858 -3.244 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.437 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.633 4.433 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.465 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 1 C5'-C4'-C3' 107.872 -5.085 . 0.124 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.005 -3.695 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.465 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C4'-C3'-C2' 98.328 -4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.557 -3.143 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.284 -3.416 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.169 -3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 3 O4'-C1'-N19 112.688 4.488 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 100.412 -2.288 . 0.293 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG2' ' OP2' ' C' ' 13' ' ' ' U' . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -69.13 -41.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -74.42 16.05 0.29 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.466 1.107 . . . . 0.0 111.18 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -122.19 13.71 10.45 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.835 1.254 . . . . 0.0 110.91 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -118.88 -52.84 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 112.711 -172.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -61.71 -3.29 1.04 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 118.561 0.619 . . . . 0.0 112.394 -175.269 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.412 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.422 HD22 ' C2 ' ' C' ' 13' ' ' ' U' . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -119.91 164.87 15.4 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.56 -33.27 69.74 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 -2.21 29.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 111.655 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.465 HD12 ' C6 ' ' C' ' 9' ' ' ' C' . 21.2 mm -132.55 -23.85 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 124.082 0.953 . . . . 0.0 111.519 -170.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -69.22 -40.29 78.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -71.83 12.29 0.41 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.393 1.077 . . . . 0.0 111.677 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.473 ' HG2' ' H41' ' C' ' 9' ' ' ' C' . 65.8 ttt180 -127.44 2.64 6.27 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.073 0.949 . . . . 0.0 111.355 -176.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -94.87 -49.36 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.438 -0.789 . . . . 0.0 112.819 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -56.29 -5.2 0.18 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -172.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 119.281 0.946 . . . . 0.0 112.912 -175.404 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.261 -3.439 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.322 -3.378 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 C4'-C3'-C2' 98.611 -4.089 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 1 C4'-C3'-C2' 98.461 -4.239 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 O4'-C1'-N19 112.42 4.22 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-N19 110.996 2.796 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 C5'-C4'-C3' 107.728 -5.181 . 0.643 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . 0.473 ' H41' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.734 3.534 . 0.433 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.011 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.443 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.105 4.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.427 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 C5'-C4'-C3' 107.866 -5.089 . 0.178 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . 0.456 ' OP2' ' HG2' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.421 -2.66 1 C5'-C4'-C3' 108.603 -4.598 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.427 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.281 -2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.507 -3.193 . 0.939 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.403 -3.297 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.687 -3.013 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.375 -3.325 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.505 3.305 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.678 -3.022 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.082 -3.618 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.386 -3.314 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.206 -3.494 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 98.87 -3.83 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.676 -4.024 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.472 -3.228 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.988 -2.712 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 112.176 3.976 . 0.297 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.412 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 115.039 6.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C5'-C4'-C3' 106.503 -5.998 . 0.06 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.796 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.303 3.103 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.443 -3.257 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.438 -3.262 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.182 -3.518 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.357 -3.343 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.695 -3.005 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' CE1' ' H22' ' D' ' 10' ' ' ' G' . 61.3 m-70 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' B' ' 12' ' ' ILE . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -63.3 -42.0 99.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -76.24 -16.1 59.89 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.458 0.303 . . . . 0.0 111.024 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -77.89 -22.37 49.85 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.699 0.4 . . . . 0.0 110.791 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.01 -31.48 53.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 123.584 0.753 . . . . 0.0 109.95 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -68.49 -2.55 8.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.478 0.711 . . . . 0.0 112.244 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.426 0.69 . . . . 0.0 111.413 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.456 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' CD1' " H4'" ' D' ' 13' ' ' ' U' . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.488 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' B' ' 12' ' ' ILE . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.78 12.35 0.52 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 63.98 1.42 1.15 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 0.0 113.206 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -126.07 7.03 7.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.477 -0.764 . . . . 0.0 109.865 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -9.49 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -70.9 -35.76 72.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.24 -19.19 61.75 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 122.117 -0.364 . . . . 0.0 111.093 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -69.15 -16.58 63.68 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.924 0.49 . . . . 0.0 110.513 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.26 -37.25 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.051 0 C-N-CA 123.561 0.744 . . . . 0.0 110.427 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.05 -7.29 21.65 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.093 -3.607 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.127 -3.573 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.566 -4.134 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C4'-C3'-C2' 98.696 -4.004 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 108.723 -4.518 . 0.607 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . 0.44 " H4'" ' C4 ' ' C' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 110.834 2.634 . 0.066 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . 0.44 ' C4 ' " H4'" ' C' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.588 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.422 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 113.015 4.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.401 ' N1 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C5'-C4'-C3' 106.987 -5.675 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . 0.425 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.036 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.401 " H1'" ' N1 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.592 -3.108 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.398 -3.302 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.518 -3.182 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.208 -3.492 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.293 -3.407 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.474 -3.226 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.112 -3.588 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.744 -2.956 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.771 -3.929 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C4'-C3'-C2' 98.399 -4.301 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 98.717 -3.983 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.776 -2.924 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.803 -2.897 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 112.756 4.556 . 0.232 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . 0.406 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 110.736 -3.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.456 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 113.52 5.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.468 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C5'-C4'-C3' 107.166 -5.556 . 0.224 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . 0.414 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.01 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.468 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 111.689 -2.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.019 2.819 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.278 -3.422 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.081 -3.619 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.538 3.338 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.206 -3.494 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.666 -3.034 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -72.34 -43.96 63.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.49 -3.48 11.65 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.939 0.496 . . . . 0.0 111.175 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -95.71 5.97 50.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.878 1.271 . . . . 0.0 110.96 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -103.51 -89.16 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.08 0.552 . . . . 0.0 111.245 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' A' ' 52' ' ' GLN . 2.1 pm0 -69.18 -8.67 47.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.6 1.16 . . . . 0.0 113.672 -172.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 CA-C-N 118.206 0.457 . . . . 0.0 111.658 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.453 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.439 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 4.8 ptm180 -80.78 156.42 26.2 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.69 -22.32 66.08 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.15 -7.25 59.65 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.615 0.366 . . . . 0.0 111.678 -178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.439 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 3.2 mt -131.15 -13.28 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.74 -42.97 94.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.301 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.16 -14.36 62.61 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.074 0.55 . . . . 0.0 111.649 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . 42.7 ttt180 -77.81 3.05 15.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.443 1.097 . . . . 0.0 111.764 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 78.2 mt -104.89 -51.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' B' ' 52' ' ' GLN . 24.2 mp0 -67.5 -10.41 51.36 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -171.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -175.164 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.779 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.912 -3.788 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.595 2.395 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C4'-C3'-C2' 98.645 -4.055 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 2 C4'-C3'-C2' 98.218 -4.482 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C4'-C3'-C2' 98.711 -3.989 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 O4'-C1'-N19 110.704 2.504 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 109.68 -3.88 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.3 4.1 . 0.294 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.625 -3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.445 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 113.507 5.307 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 107.313 -5.458 . 0.181 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.624 3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.35 -3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.506 -3.194 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 98.942 -3.758 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.056 -3.644 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.162 -3.538 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.532 3.332 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.612 -3.088 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.062 -3.638 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.042 -3.658 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.245 -3.455 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 C4'-C3'-C2' 98.586 -4.114 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C4'-C3'-C2' 98.524 -4.176 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 98.914 -3.786 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.258 -3.442 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.72 -2.98 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.85 3.65 . 0.29 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . 0.427 " H1'" HD21 ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 C4'-C3'-C2' 99.397 -3.303 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.453 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.428 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C5'-C4'-C3' 108.645 -4.57 . 0.174 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C4'-C3'-C2' 97.922 -4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.054 -3.646 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.559 -3.141 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.317 -3.383 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.218 -3.482 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.208 -3.492 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.707 -2.993 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.37 -46.03 74.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -67.98 -7.15 26.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.919 0.488 . . . . 0.0 111.165 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -90.28 12.03 19.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.581 1.153 . . . . 0.0 111.233 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -112.73 -91.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 122.989 0.516 . . . . 0.0 111.687 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.591 ' H ' ' CD ' ' A' ' 52' ' ' GLN . 2.6 pm0 -62.21 -4.63 1.83 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.678 1.191 . . . . 0.0 114.084 -171.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 118.436 0.562 . . . . 0.0 111.49 176.524 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.43 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.547 ' N ' HD13 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.548 ' HD3' ' CG1' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.88 104.67 10.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 41.95 -98.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.14 1.776 . . . . 0.0 113.182 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.64 -25.83 66.77 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.548 ' CG1' ' HD3' ' B' ' 44' ' ' ARG . 17.7 mm -62.05 -26.06 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 118.226 0.466 . . . . 0.0 111.078 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.72 -49.22 60.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.25 0.477 . . . . 0.0 110.394 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.32 -18.52 60.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 122.329 -0.232 . . . . 0.0 111.283 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -72.3 -19.49 61.66 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.859 0.463 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 70.5 mt -69.02 -31.66 51.29 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.075 0.55 . . . . 0.0 109.76 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.84 -9.16 42.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 118.119 0.418 . . . . 0.0 110.744 174.608 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.016 -3.684 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.227 -3.473 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 110.572 2.372 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C4'-C3'-C2' 98.36 -4.34 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 C4'-C3'-C2' 98.053 -4.647 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 112.169 3.969 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C5'-C4'-O4' 112.802 2.573 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C5'-C4'-C3' 108.983 -4.345 . 0.153 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 1 O4'-C1'-N19 112.567 4.367 . 0.311 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.816 -3.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' G' . . . . . 0.449 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.896 4.696 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' A' . . . . . 0.551 " C2'" H5'' ' C' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.297 -4.802 . 0.15 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' U' . . . . . 0.551 H5'' " C2'" ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 O5'-C5'-C4' 115.846 4.033 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' G' . . . . . 0.507 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.243 0 C4'-C3'-C2' 98.99 -3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.662 3.462 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 C4'-C3'-C2' 98.671 -4.029 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.034 -3.666 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.026 -3.674 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.131 -3.569 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.718 -2.982 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.701 -2.999 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.065 -3.635 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.278 -3.422 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.846 -3.854 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 C4'-C3'-C2' 98.459 -4.241 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 98.818 -3.882 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.472 " H3'" H5'' ' D' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 110.937 2.737 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' A' . . . . . 0.472 H5'' " H3'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' C' . . . . . 0.548 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.094 -2.606 . 0.277 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' G' . . . . . 0.548 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-C2' 102.147 -3.038 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' G' . . . . . 0.43 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.55 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 105.633 -6.578 . 0.094 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 110.035 -3.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' G' . . . . . 0.55 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.054 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.399 -3.301 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.066 -3.634 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.242 -3.458 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.151 -3.549 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.372 -3.328 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.814 -2.886 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 31.6 m120 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.534 HH11 HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.534 HD11 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 34' ' ' ILE . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.425 HD12 ' H ' ' B' ' 3' ' ' ILE . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 6' ' ' ARG . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' B' ' 24' ' ' GLY . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 13' ' ' ASN . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.413 ' N ' HG22 ' B' ' 12' ' ' ILE . 31.5 m120 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' B' ' 8' ' ' VAL . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.445 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 HG13 ' B' ' 42' ' ' VAL . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.413 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.529 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.529 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.415 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.41 ' N ' HD12 ' B' ' 34' ' ' ILE . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 . . . . . 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.521 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 3' ' ' ILE . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' B' ' 12' ' ' ILE . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.488 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' B' ' 12' ' ' ILE . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.547 ' N ' HD13 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.81 95.52 5.7 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -79.1 143.07 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.08 164.66 29.5 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -129.75 87.87 2.59 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -86.96 162.16 17.83 Favored 'General case' 0 C--O 1.228 -0.076 0 C-N-CA 123.386 0.674 . . . . 0.0 111.206 -176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -93.25 159.68 15.17 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.19 129.91 24.58 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 174.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.97 -13.36 62.13 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 123.562 0.601 . . . . 0.0 112.39 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -84.23 -176.38 6.23 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.858 0.829 . . . . 0.0 109.37 175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -150.16 175.72 11.49 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.836 0.827 . . . . 0.0 112.526 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.53 162.53 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 126.731 2.012 . . . . 0.0 107.295 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -136.57 147.64 47.12 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.815 -0.553 . . . . 0.0 110.171 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -143.95 146.19 21.12 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 C-N-CA 123.047 0.539 . . . . 0.0 109.778 -177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 8.68 5.83 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.357 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.87 4.72 1.55 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.781 1.232 . . . . 0.0 113.239 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -132.42 -0.08 3.64 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.088 0.555 . . . . 0.0 111.623 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -127.02 142.26 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -132.68 133.48 43.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.64 91.04 1.73 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 122.885 0.474 . . . . 0.0 109.934 -173.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -81.6 153.84 26.49 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -110.63 99.21 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.26 -25.64 60.78 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.089 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.84 -172.66 34.48 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.277 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.41 153.12 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.119 0.968 . . . . 0.0 109.683 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -144.53 71.38 1.31 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.577 0.751 . . . . 0.0 109.362 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.93 -120.79 23.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -71.23 0.93 6.77 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.239 0.616 . . . . 0.0 112.074 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -121.48 168.25 11.92 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 121.886 -0.509 . . . . 0.0 111.295 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.6 147.54 21.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.359 1.064 . . . . 0.0 108.277 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -115.37 114.99 25.84 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -113.71 155.05 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.957 1.303 . . . . 0.0 108.578 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.4 103.03 0.69 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.01 112.65 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -105.93 101.61 11.09 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.235 0.614 . . . . 0.0 109.376 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.32 153.87 71.38 Favored Pre-proline 0 N--CA 1.455 -0.183 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.17 154.69 69.7 Favored 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.152 1.901 . . . . 0.0 108.589 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -70.26 -1.07 9.27 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.971 -0.455 . . . . 0.0 110.997 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.25 -15.77 63.7 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 124.239 1.016 . . . . 0.0 111.131 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.02 164.64 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.101 0.561 . . . . 0.0 109.488 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.02 160.23 14.81 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.113 0.483 . . . . 0.0 111.39 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.81 119.27 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -142.37 154.54 44.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 4.8 ptm180 -74.75 158.36 33.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.286 1.034 . . . . 0.0 110.197 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.29 -29.46 69.06 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -81.93 -2.86 52.81 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.89 -0.506 . . . . 0.0 112.1 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' HB ' ' CG ' ' A' ' 44' ' ' ARG . 4.5 mt -128.11 -14.91 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 122.883 0.473 . . . . 0.0 111.664 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -60.18 -39.3 86.01 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.418 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.51 -17.36 51.8 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.47 0.308 . . . . 0.0 111.512 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -71.16 -26.84 63.16 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.72 -35.62 66.38 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 123.792 0.837 . . . . 0.0 109.994 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -70.55 -1.8 12.14 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.145 0.578 . . . . 0.0 112.093 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.942 0.897 . . . . 0.0 110.624 178.22 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttp . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.459 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -104.12 96.55 6.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.21 141.1 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt -141.26 160.94 39.06 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.1 m -121.93 82.89 2.01 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -78.93 133.81 36.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.229 1.012 . . . . 0.0 111.357 -173.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.61 146.9 49.75 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -59.37 141.1 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.78 83.17 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.735 -0.48 . . . . 0.0 112.289 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -100.24 -174.61 2.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 117.738 0.769 . . . . 0.0 109.875 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -143.26 168.97 18.52 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 121.446 0.641 . . . . 0.0 112.512 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 45.3 mm -126.66 167.02 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 125.662 1.585 . . . . 0.0 106.737 174.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 31.6 m120 -136.11 158.34 44.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.503 0.592 . . . . 0.0 110.974 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -141.53 150.45 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.4 -118.41 10.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -143.04 3.26 1.37 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.049 0.54 . . . . 0.0 111.165 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -139.66 4.76 2.16 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.4 mt -114.98 145.86 20.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-N 118.501 0.591 . . . . 0.0 110.513 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.55 138.15 37.71 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.653 0.781 . . . . 0.0 109.363 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.55 89.4 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -76.44 160.29 29.67 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.307 0.643 . . . . 0.0 110.236 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.5 tp -125.33 105.66 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.078 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -78.34 -26.36 46.74 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.578 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.57 178.2 19.16 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.742 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.1 162.99 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.452 0.701 . . . . 0.0 110.655 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.1 m -151.99 44.83 0.74 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 124.483 1.113 . . . . 0.0 108.762 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.35 -127.73 8.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 108.831 -1.708 . . . . 0.0 108.831 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.21 -6.06 40.21 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 117.303 0.551 . . . . 0.0 109.986 173.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.06 170.5 8.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.063 0.459 . . . . 0.0 110.69 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 79.5 t -143.99 129.7 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.448 1.099 . . . . 0.0 108.668 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -94.97 107.6 19.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -104.46 159.35 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 124.915 1.286 . . . . 0.0 108.461 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.86 99.33 0.42 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.39 115.75 28.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -117.54 111.07 18.73 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.259 0.552 . . . . 0.0 111.049 -177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.46 156.67 53.23 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.296 1.038 . . . . 0.0 108.693 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.74 161.38 45.32 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.471 2.114 . . . . 0.0 109.875 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -67.97 -0.68 4.62 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.281 -0.262 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.85 -15.01 63.42 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.333 0.653 . . . . 0.0 110.777 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.82 171.15 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.452 0.701 . . . . 0.0 109.714 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.28 159.74 19.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.706 0.288 . . . . 0.0 110.952 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.5 120.17 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 124.042 0.937 . . . . 0.0 109.017 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -142.94 164.46 30.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.305 0.642 . . . . 0.0 110.355 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 15.7 ptp180 -89.25 168.12 12.53 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 122.705 0.402 . . . . 0.0 110.268 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.44 -36.56 83.1 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.88 4.13 23.58 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.403 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 6.9 mm -127.67 -31.16 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.845 0.858 . . . . 0.0 110.826 -176.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.94 -44.47 95.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -72.84 -10.25 59.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.98 0.512 . . . . 0.0 111.571 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -83.7 -11.74 56.79 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.184 0.594 . . . . 0.0 111.312 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -76.84 -37.64 28.02 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 123.439 0.696 . . . . 0.0 111.07 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -63.46 -10.36 17.01 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.323 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 99.822 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.507 -3.193 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.301 -3.399 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 98.739 -3.961 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.699 -4.001 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.833 -3.867 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 C4'-C3'-C2' 99.736 -2.964 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.987 -2.713 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.43 4.23 . 0.24 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C5'-C4'-C3' 110.418 -3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.446 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.873 1 O4'-C1'-N19 113.103 4.903 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.449 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C5'-C4'-C3' 106.897 -5.735 . 0.159 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 99.232 -3.468 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.449 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C4'-C3'-C2' 99.977 -2.723 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.526 -3.174 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.215 -3.485 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.348 -3.352 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.234 -3.466 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.218 -3.482 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.738 -2.962 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.826 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 98.923 -3.777 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 98.895 -3.805 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 1 C4'-C3'-C2' 98.45 -4.25 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.538 1 C4'-C3'-C2' 98.631 -4.069 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 C4'-C3'-C2' 98.555 -4.145 . 0.71 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 O4'-C1'-N19 110.981 2.781 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 107.595 -5.27 . 0.848 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . 0.481 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.565 2.365 . 0.599 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . 0.481 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-C2' 101.505 -3.497 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.459 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 114.806 6.606 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.458 " H5'" " C3'" ' D' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 1 O4'-C1'-N19 112.451 4.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.414 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C4'-C3'-C2' 100.212 -2.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 99.773 -2.927 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.3 -3.4 . 0.87 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.173 -3.527 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 98.941 -3.759 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 98.839 -3.861 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.206 3.006 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.403 -0.221 . . . . 1.0 110.403 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -108.94 99.73 9.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.646 -0.872 . . . . 1.0 108.646 177.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.435 ' CD1' " H4'" ' C' ' 13' ' ' ' U' . 4.4 mp -85.29 144.77 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -142.77 165.14 28.19 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.2 m -123.92 84.18 2.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 108.134 -1.061 . . . . 1.0 108.134 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.534 HH11 HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -80.13 150.84 30.09 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.124 -173.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.1 148.58 27.42 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 108.483 -0.932 . . . . 1.0 108.483 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.3 134.07 26.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.91 -12.35 65.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 123.692 0.663 . . . . 1.0 112.329 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -93.24 -175.14 3.74 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.681 0.741 . . . . 1.0 109.352 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 m -143.9 175.04 10.31 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.553 0.692 . . . . 1.0 112.461 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD11 HH11 ' A' ' 6' ' ' ARG . 41.5 mm -123.48 163.68 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.525 -1.657 . . . . 1.0 106.525 171.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -133.13 148.03 52.11 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -141.41 144.08 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 N-CA-C 109.113 -0.699 . . . . 1.0 109.113 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 10.63 7.75 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.55 -0.583 . . . . 1.0 113.666 175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 60.73 7.86 1.58 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.97 1.308 . . . . 1.0 113.474 -176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -131.43 0.82 4.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.412 0.551 . . . . 1.0 111.832 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.1 mt -124.97 151.38 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.714 -0.476 . . . . 1.0 109.714 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -135.89 136.14 40.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -121.49 86.87 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.0 m -75.76 154.46 36.32 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.651 0.38 . . . . 1.0 110.414 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -116.26 97.89 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.073 0 N-CA-C 108.053 -1.091 . . . . 1.0 108.053 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -71.93 -25.11 61.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.796 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.09 172.45 18.08 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.5 -0.857 . . . . 1.0 113.918 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.66 161.14 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 115.018 -0.591 . . . . 1.0 110.101 177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 m -149.12 41.43 0.9 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.277 1.031 . . . . 1.0 108.773 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.2 -124.25 6.85 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 109.197 -1.561 . . . . 1.0 109.197 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -70.83 -2.62 15.51 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.962 0.381 . . . . 1.0 110.361 174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 26.0 mt-30 -113.9 168.18 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 122.657 0.383 . . . . 1.0 110.289 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.31 125.37 2.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 123.504 0.721 . . . . 1.0 109.731 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -91.63 113.63 25.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.755 0.312 . . . . 1.0 110.355 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.12 157.11 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 125.525 1.53 . . . . 1.0 108.578 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.86 103.49 0.58 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 34' ' ' ILE . 3.8 mp -90.87 120.41 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.272 -1.01 . . . . 1.0 108.272 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -124.46 108.31 12.0 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.121 0.486 . . . . 1.0 110.864 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.3 157.61 65.84 Favored Pre-proline 0 C--N 1.331 -0.203 0 C-N-CA 125.264 1.425 . . . . 1.0 108.763 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -73.41 164.3 35.46 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.653 2.235 . . . . 1.0 110.112 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.9 0.62 6.92 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 122.11 -0.369 . . . . 1.0 111.518 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -71.3 -10.25 59.45 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.906 0.482 . . . . 1.0 110.168 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.17 171.92 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.892 0.877 . . . . 1.0 109.568 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 163.32 16.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.79 0.329 . . . . 1.0 110.769 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -151.67 116.16 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.005 0.922 . . . . 1.0 109.088 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -142.67 159.54 42.04 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.522 0.729 . . . . 1.0 110.191 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -81.37 167.68 19.19 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.453 -0.573 . . . . 1.0 109.453 174.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.82 -42.85 97.56 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.018 -0.426 . . . . 1.0 111.559 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.8 -0.84 7.81 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.459 0.704 . . . . 1.0 112.557 -177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -128.1 -22.29 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.684 0.793 . . . . 1.0 110.766 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.23 -39.41 82.33 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -72.61 -15.2 61.74 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -72.11 -40.5 68.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.01 0.368 . . . . 1.0 110.152 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.84 -32.13 42.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.03 0 C-N-CA 124.88 1.272 . . . . 1.0 111.029 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -71.88 0.14 9.89 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.266 0.469 . . . . 1.0 112.266 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 123.649 0.78 . . . . 1.0 111.505 176.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 110.461 -0.2 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.402 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -115.65 96.18 5.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.222 -1.029 . . . . 1.0 108.222 177.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.425 HD12 ' H ' ' B' ' 3' ' ' ILE . 5.3 mp -81.86 143.42 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 -177.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.03 162.51 35.29 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 44.1 m -128.81 83.69 2.17 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 109.204 -0.665 . . . . 1.0 109.204 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -74.39 173.74 9.86 Favored 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 123.104 0.561 . . . . 1.0 110.309 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 66.4 mttt -117.36 157.39 26.23 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.028 -0.73 . . . . 1.0 109.028 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.11 124.74 10.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.106 0 N-CA-C 110.164 -0.31 . . . . 1.0 110.164 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.17 -10.94 61.92 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.675 0.655 . . . . 1.0 112.321 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -84.35 172.69 11.56 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.103 0.952 . . . . 1.0 110.251 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 30.1 p -144.29 172.54 12.78 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.688 0.756 . . . . 1.0 112.413 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 164.76 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.926 1.691 . . . . 1.0 108.043 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -132.41 149.57 52.32 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.92 0.488 . . . . 1.0 109.974 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -142.93 145.77 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 108.983 -0.747 . . . . 1.0 108.983 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.21 10.18 6.94 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 119.361 -0.688 . . . . 1.0 113.894 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 60.28 6.89 1.11 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.946 1.298 . . . . 1.0 113.486 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -133.23 0.71 3.42 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.212 0.605 . . . . 1.0 111.531 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -124.78 151.12 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -136.89 140.87 42.64 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 mm -122.02 146.8 26.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 107.454 -1.313 . . . . 1.0 107.454 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -144.17 131.88 21.27 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.396 0.544 . . . . 1.0 110.854 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -88.29 101.41 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.154 -1.054 . . . . 1.0 108.154 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.17 -26.94 60.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.611 -0.268 . . . . 1.0 110.534 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.83 170.59 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 112.28 -0.328 . . . . 1.0 112.28 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -75.22 163.72 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 CA-C-O 120.828 0.347 . . . . 1.0 110.072 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -146.91 38.95 1.01 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.977 0.911 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.17 -121.95 6.03 Favored Glycine 0 C--N 1.336 0.549 0 N-CA-C 109.515 -1.434 . . . . 1.0 109.515 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.48 -1.29 17.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.098 0.449 . . . . 1.0 110.473 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -116.57 173.21 6.74 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.146 0.579 . . . . 1.0 109.749 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.38 127.06 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.328 0.651 . . . . 1.0 109.528 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -87.41 107.85 18.73 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.7 mt -118.08 154.7 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.136 0.974 . . . . 1.0 108.508 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.78 151.06 16.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.257 -1.137 . . . . 1.0 110.257 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 123.64 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.853 -1.166 . . . . 1.0 107.853 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -124.63 107.58 11.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.178 0.513 . . . . 1.0 111.259 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.44 159.64 64.99 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 125.472 1.509 . . . . 1.0 108.252 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.66 162.0 44.07 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.134 1.889 . . . . 1.0 109.403 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -72.98 1.32 9.08 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.013 -0.43 . . . . 1.0 111.215 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.63 -14.7 63.17 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.523 0.729 . . . . 1.0 110.562 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.63 171.19 18.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 C-N-CA 123.601 0.76 . . . . 1.0 109.696 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.9 159.41 19.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.772 0.32 . . . . 1.0 110.83 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -148.83 115.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.053 0.941 . . . . 1.0 108.773 177.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -139.11 154.88 48.2 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.159 0.583 . . . . 1.0 110.402 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 6.6 ptm180 -79.63 162.16 25.45 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 124.264 1.026 . . . . 1.0 110.555 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -72.0 -23.8 61.46 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 122.304 -0.247 . . . . 1.0 111.605 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -77.28 -9.46 58.82 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.577 0.351 . . . . 1.0 111.397 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.45 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 2.8 mt -133.94 -17.84 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 112.51 0.559 . . . . 1.0 112.51 -174.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -63.23 -35.46 80.4 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.406 -0.809 . . . . 1.0 109.24 172.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -80.29 -17.46 52.06 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.722 0.409 . . . . 1.0 111.017 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -70.97 -22.74 62.16 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.167 0.587 . . . . 1.0 109.978 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.87 -42.29 77.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.08 0 C-N-CA 123.586 0.754 . . . . 1.0 109.289 174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -77.78 -0.44 27.06 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.571 0.748 . . . . 1.0 112.034 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.907 0.706 . . . . 1.0 112.907 -175.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 C4'-C3'-C2' 99.627 -3.073 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.975 -3.725 . 0.835 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.016 -3.684 . 0.791 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.964 -3.736 . 0.797 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.786 -3.914 . 0.74 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 2 O4'-C1'-N19 112.436 4.236 . 0.667 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.491 0 C5'-C4'-O4' 113.239 2.885 . 0.721 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 1 C5'-C4'-C3' 108.292 -4.805 . 0.723 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 0 O4'-C1'-N19 111.153 2.953 . 0.064 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 109.897 -3.736 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.443 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.909 1 O4'-C1'-N19 113.466 5.266 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 107.227 -5.515 . 0.2 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . 0.435 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 O4'-C1'-N19 111.42 3.22 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C4'-C3'-C2' 99.937 -2.763 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.665 -3.035 . 0.901 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.268 -3.432 . 0.84 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C4'-C3'-C2' 99.316 -3.384 . 0.788 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 C4'-C3'-C2' 99.14 -3.56 . 0.836 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.268 -3.432 . 0.832 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 99.642 -3.058 . 0.778 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.635 -3.065 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.946 -3.754 . 0.824 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.129 -3.571 . 0.765 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C4'-C3'-C2' 98.89 -3.81 . 0.844 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 1 C4'-C3'-C2' 98.479 -4.221 . 0.769 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 98.773 -3.927 . 0.703 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.344 3.144 . 0.751 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.939 -2.761 . 0.79 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 O4'-C1'-N19 113.387 5.187 . 0.303 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.792 0 C5'-C4'-C3' 111.3 -2.8 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.402 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 O4'-C1'-N19 114.995 6.795 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 1 C5'-C4'-C3' 107.047 -5.635 . 0.066 6n . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 1 C5'-C4'-C3' 107.858 -5.095 OUTLIER-EPSILON 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 P-O3'-C3' 125.504 4.836 . 0.0 OUTLIER epsilon-1 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.56 -3.14 . 0.802 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.23 -3.47 . 0.883 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.22 -3.48 . 0.809 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.005 -3.695 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.088 -3.612 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.569 -3.131 . 0.747 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 110.566 -0.161 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.49 96.96 6.52 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.624 -0.88 . . . . 1.0 108.624 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -82.67 147.06 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 -178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -144.09 166.13 25.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.929 -0.767 . . . . 1.0 108.929 175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 m -118.32 79.05 1.32 Allowed 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 107.851 -1.166 . . . . 1.0 107.851 175.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' CZ ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -76.42 173.11 11.88 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.011 -0.54 . . . . 1.0 109.967 -175.283 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 73.2 mttt -124.0 154.4 39.9 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.805 -0.443 . . . . 1.0 109.805 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.46 125.34 13.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.585 0.354 . . . . 1.0 110.253 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.07 -11.34 63.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.53 0.586 . . . . 1.0 112.402 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -89.35 179.59 6.05 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.586 0.693 . . . . 1.0 109.223 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t -143.85 176.13 9.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.904 0.859 . . . . 1.0 113.311 -176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mm -134.83 161.43 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 126.601 1.961 . . . . 1.0 107.616 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -135.0 155.55 50.57 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.316 0.507 . . . . 1.0 110.836 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.8 mt -141.49 149.08 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.36 -120.9 20.34 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.54 -1.024 . . . . 1.0 110.54 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -141.5 3.57 1.71 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.28 0.632 . . . . 1.0 110.922 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -139.42 4.46 2.19 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 -174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -118.8 144.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 CA-C-N 118.606 0.639 . . . . 1.0 110.879 -174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -138.45 138.46 38.15 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.64 0.776 . . . . 1.0 109.281 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.1 mm -127.26 92.83 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.092 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -85.74 156.02 20.8 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 122.336 0.254 . . . . 1.0 110.583 -178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.98 97.51 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 107.423 -1.325 . . . . 1.0 107.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.68 -28.38 63.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.704 -171.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.28 -173.53 34.79 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 120.881 -0.676 . . . . 1.0 113.114 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.68 143.58 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.157 0.983 . . . . 1.0 109.386 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -146.27 96.23 2.74 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 123.599 0.76 . . . . 1.0 108.957 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -147.35 50.54 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 109.331 -1.508 . . . . 1.0 109.331 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.42 -4.57 15.2 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.921 0.361 . . . . 1.0 111.808 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -99.78 166.59 11.02 Favored 'General case' 0 C--N 1.34 0.165 0 O-C-N 121.804 -0.56 . . . . 1.0 111.618 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.34 132.38 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.181 0.992 . . . . 1.0 109.498 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -91.13 111.05 22.35 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.857 0.863 . . . . 1.0 109.829 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -112.26 153.09 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.106 0.962 . . . . 1.0 108.605 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.89 105.66 0.68 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -93.56 111.72 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.792 -0.818 . . . . 1.0 108.792 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -109.84 111.73 23.33 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.028 0.442 . . . . 1.0 110.194 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.5 155.8 56.98 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 123.801 0.84 . . . . 1.0 109.312 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.14 162.21 39.25 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.799 2.333 . . . . 1.0 110.148 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -68.28 -2.22 7.82 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.655 0.382 . . . . 1.0 111.36 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.78 -15.18 63.43 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.132 0.573 . . . . 1.0 110.501 174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -135.13 172.19 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.648 0.779 . . . . 1.0 109.704 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.55 163.31 14.65 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.817 0.342 . . . . 1.0 110.737 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.36 121.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.815 0.846 . . . . 1.0 108.862 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -145.52 174.27 11.31 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 123.91 0.884 . . . . 1.0 109.657 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -110.21 171.17 7.61 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 117.652 0.206 . . . . 1.0 110.717 174.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -54.94 -44.8 74.62 Favored 'General case' 0 CA--C 1.526 0.049 0 N-CA-C 112.825 0.676 . . . . 1.0 112.825 -171.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.88 0.91 3.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.248 0.619 . . . . 1.0 112.031 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' CG1' ' HD2' ' A' ' 44' ' ' ARG . 31.2 mm -131.53 -29.95 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.467 0.707 . . . . 1.0 111.73 -173.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.86 -60.84 3.04 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 118.194 0.452 . . . . 1.0 109.798 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.84 -16.72 64.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.596 0.221 . . . . 1.0 111.596 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -72.1 -17.22 62.0 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.52 0.328 . . . . 1.0 110.924 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.0 mt -75.12 -42.41 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.081 0.552 . . . . 1.0 109.788 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.29 -14.6 58.91 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 122.271 -0.268 . . . . 1.0 111.272 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -179.146 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.392 -0.225 . . . . 1.0 110.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.411 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.37 99.23 8.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 177.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.3 mp -82.17 141.4 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 109.125 -0.694 . . . . 1.0 109.125 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -141.77 168.17 20.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.697 -0.853 . . . . 1.0 108.697 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -124.58 138.92 54.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.823 -0.806 . . . . 1.0 108.823 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.408 ' HA ' ' HE ' ' B' ' 6' ' ' ARG . 3.4 mmp_? -136.43 134.83 38.15 Favored 'General case' 0 CA--C 1.523 -0.08 0 C-N-CA 122.774 0.43 . . . . 1.0 110.557 -175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.77 161.05 29.37 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' B' ' 24' ' ' GLY . 75.9 t -57.93 124.69 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 175.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.08 -11.31 58.7 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 123.839 0.733 . . . . 1.0 112.515 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -82.48 175.17 10.43 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.046 0.923 . . . . 1.0 110.081 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -147.25 173.13 12.85 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.378 0.608 . . . . 1.0 111.974 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 13' ' ' ASN . 66.1 mt -138.49 167.19 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.942 1.697 . . . . 1.0 107.432 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.413 ' N ' HG22 ' B' ' 12' ' ' ILE . 31.5 m120 -134.57 154.53 51.43 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.11 -0.369 . . . . 1.0 110.768 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 65.8 mt -142.98 149.39 18.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 108.673 -0.862 . . . . 1.0 108.673 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.83 -122.85 27.02 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.482 -1.047 . . . . 1.0 110.482 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -140.01 2.36 1.92 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.185 0.594 . . . . 1.0 110.936 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -139.95 5.28 2.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.146 0.578 . . . . 1.0 112.445 -175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 87.1 mt -118.56 143.86 28.35 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 CA-C-N 118.488 0.586 . . . . 1.0 110.617 -175.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -139.78 144.66 37.5 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.432 0.693 . . . . 1.0 109.22 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.6 mm -123.09 148.57 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 N-CA-C 107.556 -1.276 . . . . 1.0 107.556 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 50.5 m -142.14 154.96 45.28 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.29 0.496 . . . . 1.0 110.645 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -113.13 98.5 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 107.501 -1.296 . . . . 1.0 107.501 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.403 HD22 ' C2 ' ' C' ' 13' ' ' ' U' . 7.6 mt -72.08 -28.26 63.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.043 -173.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' B' ' 8' ' ' VAL . . . 158.79 170.75 23.76 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 112.355 -0.298 . . . . 1.0 112.355 174.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.73 162.41 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.75 40.45 1.18 Allowed 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.566 1.146 . . . . 1.0 108.538 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.73 -123.68 6.76 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 109.091 -1.604 . . . . 1.0 109.091 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.98 -8.67 56.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 117.04 0.42 . . . . 1.0 110.221 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.445 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 27.5 mt-30 -105.38 169.91 8.19 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -145.76 125.87 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.214 0.206 . . . . 1.0 110.479 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -78.9 102.67 8.36 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.8 mt -113.43 154.8 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 124.418 1.087 . . . . 1.0 108.176 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.4 146.7 17.79 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.51 110.79 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -108.3 110.3 21.85 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.213 0.53 . . . . 1.0 110.601 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.53 154.17 62.99 Favored Pre-proline 0 N--CA 1.452 -0.336 0 CA-C-N 115.263 -0.88 . . . . 1.0 108.966 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.62 160.05 49.35 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.471 2.114 . . . . 1.0 110.189 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -66.9 -3.65 7.49 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.894 0.478 . . . . 1.0 111.112 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -76.61 -9.85 58.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.074 0.949 . . . . 1.0 111.482 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.62 173.58 14.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 C-N-CA 123.472 0.709 . . . . 1.0 109.529 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.63 161.22 19.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.123 0.487 . . . . 1.0 111.585 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -151.29 126.1 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.616 1.166 . . . . 1.0 108.232 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -138.44 173.23 11.82 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.512 0.725 . . . . 1.0 109.64 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 144.58 51.32 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -169.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 39.89 -83.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 127.183 2.193 . . . . 1.0 114.049 -174.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -129.17 4.74 5.27 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.157 0.583 . . . . 1.0 112.459 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -56.4 -26.08 21.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.095 0.958 . . . . 1.0 111.46 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -73.06 -52.81 12.93 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.192 0.451 . . . . 1.0 110.454 176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.13 -19.05 65.55 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.313 0.245 . . . . 1.0 111.195 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -66.57 -22.64 66.14 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.131 0.572 . . . . 1.0 111.033 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -70.91 -36.27 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.988 0.515 . . . . 1.0 109.731 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -72.0 -1.8 15.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.353 0.661 . . . . 1.0 111.955 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.252 0 C-N-CA 123.818 0.847 . . . . 1.0 110.945 178.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.729 -2.971 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 98.849 -3.851 . 0.832 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.537 -3.163 . 0.764 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 1 C4'-C3'-C2' 98.653 -4.047 . 0.834 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.111 -4.589 . 0.742 1a . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 O4'-C1'-N19 111.924 3.724 . 0.637 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C5'-C4'-O4' 112.949 2.678 . 0.759 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 1 C5'-C4'-C3' 109.434 -4.044 . 0.121 1c . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 1 O4'-C1'-N19 112.418 4.218 . 0.312 7d . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C5'-C4'-C3' 110.805 -3.13 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 115.426 7.226 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.436 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.639 1 C5'-C4'-C3' 106.786 -5.809 . 0.046 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . 0.403 ' C2 ' HD22 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.595 1 C5'-C4'-C3' 109.361 -4.093 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.436 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.132 -3.568 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.265 -3.435 . 0.866 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 98.905 -3.795 . 0.842 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 98.827 -3.873 . 0.767 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.59 3.39 . 0.83 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.187 -3.513 . 0.816 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 99.673 -3.027 . 0.752 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.713 -2.987 . 0.0 '__' . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.097 -3.603 . 0.833 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C4'-C3'-C2' 99.21 -3.49 . 0.793 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 98.869 -3.831 . 0.826 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.749 -3.951 . 0.731 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 98.78 -3.92 . 0.739 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.443 3.243 . 0.745 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.853 -2.431 . 0.791 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 112.103 3.903 . 0.228 7d . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C5'-C4'-C3' 110.848 -3.102 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.411 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 114.984 6.784 OUTLIER-DELTA 0.0 OUTLIER . 1.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.433 ' N1 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 C5'-C4'-C3' 106.949 -5.701 . 0.081 6n . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C5'-C4'-C3' 109.819 -3.787 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.433 " H1'" ' N1 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C4'-C3'-C2' 99.377 -3.323 . 0.0 OUTLIER . 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.273 -3.427 . 0.833 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.25 -3.45 . 0.788 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 0 C4'-C3'-C2' 99.719 -2.981 . 0.764 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.234 -3.466 . 0.84 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 C4'-C3'-C2' 99.28 -3.42 . 0.838 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.651 -3.049 . 0.784 1a . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttp . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.427 -0.321 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -101.28 96.16 7.0 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 177.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -80.92 139.65 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.05 161.71 37.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.6 m -127.67 89.05 2.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -78.8 176.92 9.11 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.869 0.868 . . . . 0.0 110.743 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 67.9 mttt -124.06 159.26 30.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -57.06 117.13 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 C-N-CA 122.893 0.477 . . . . 0.0 110.142 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.25 -8.07 37.91 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 123.749 0.69 . . . . 0.0 112.659 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -92.45 -179.08 5.1 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 117.977 0.888 . . . . 0.0 110.291 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.0 m -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -122.5 163.67 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 126.038 1.735 . . . . 0.0 106.841 173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -133.6 137.36 45.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.123 0.42 . . . . 0.0 110.155 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.6 mm -134.3 144.06 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.687 0.795 . . . . 0.0 109.24 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.73 10.93 5.02 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 119.4 -0.667 . . . . 0.0 113.99 174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 61.17 7.4 1.61 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.901 1.28 . . . . 0.0 113.545 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -131.63 -0.56 3.91 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.13 0.572 . . . . 0.0 111.913 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.6 mt -124.5 151.09 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.0 m -137.0 137.15 39.12 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -121.47 86.57 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -74.34 158.73 33.46 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -119.95 98.83 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 mt -72.96 -25.32 60.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.84 -174.41 36.65 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 120.632 -0.794 . . . . 0.0 113.151 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.14 152.81 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 124.174 0.989 . . . . 0.0 109.322 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.0 m -143.98 73.73 1.4 Allowed 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.744 0.818 . . . . 0.0 109.22 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.6 -112.07 4.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.52 -8.39 53.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.069 0.547 . . . . 0.0 111.907 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 24.8 mt-30 -117.92 165.91 13.13 Favored 'General case' 0 C--N 1.339 0.14 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -144.08 130.01 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.601 1.16 . . . . 0.0 109.119 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -101.78 109.31 21.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.813 0.339 . . . . 0.0 110.216 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -102.77 155.87 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.871 1.268 . . . . 0.0 109.061 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.94 95.67 0.51 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -87.86 105.3 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.299 0.639 . . . . 0.0 109.496 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -109.27 106.5 16.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 111.041 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.97 155.8 70.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 C-N-CA 124.771 1.228 . . . . 0.0 108.82 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.16 162.59 38.43 Favored 'Trans proline' 0 N--CA 1.449 -1.096 0 C-N-CA 122.792 2.328 . . . . 0.0 110.123 177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -69.5 -1.59 9.02 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.564 0.346 . . . . 0.0 111.417 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.24 -9.43 58.7 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.276 0.631 . . . . 0.0 110.715 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.7 170.81 17.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 109.666 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.1 162.15 16.85 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.88 0.371 . . . . 0.0 110.933 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.0 118.13 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.034 0.934 . . . . 0.0 108.782 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -144.14 164.13 31.59 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.348 0.659 . . . . 0.0 110.448 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' HG2' ' HB ' ' A' ' 47' ' ' ILE . 15.9 ptp180 -86.25 168.56 13.81 Favored 'General case' 0 CA--C 1.528 0.1 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.71 -41.31 98.12 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.074 -0.391 . . . . 0.0 111.926 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.38 1.62 11.27 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.327 0.651 . . . . 0.0 112.695 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.413 ' HB ' ' HG2' ' A' ' 44' ' ' ARG . 12.6 mm -132.66 -24.19 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 123.569 0.747 . . . . 0.0 111.147 -174.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -64.33 -59.06 4.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 117.96 0.345 . . . . 0.0 110.127 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.24 -13.38 60.28 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -75.95 -13.57 60.25 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.17 0.588 . . . . 0.0 111.167 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -74.59 -43.48 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 C-N-CA 123.119 0.567 . . . . 0.0 110.541 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -69.56 -10.04 56.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.387 0.275 . . . . 0.0 111.581 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -179.804 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.6 ttp . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.448 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.39 102.37 11.27 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.412 ' CD1' " H4'" ' D' ' 13' ' ' ' U' . 4.3 mp -87.17 144.6 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.4 mt -142.38 161.54 37.78 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 35.1 m -125.64 79.95 1.86 Allowed 'General case' 0 CA--C 1.524 -0.056 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.75 172.59 11.87 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.144 -177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 60.9 mttt -112.13 155.15 24.38 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.529 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.5 m -65.79 148.55 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.684 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -10.11 61.55 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-N 115.009 -0.996 . . . . 0.0 112.277 -176.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -86.07 -178.43 6.53 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.131 0.965 . . . . 0.0 110.36 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 49.9 m -138.02 168.5 19.59 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 121.686 0.755 . . . . 0.0 112.259 -177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -135.48 162.53 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 126.357 1.863 . . . . 0.0 107.058 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -132.85 149.68 52.24 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.533 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -140.56 151.94 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.72 -117.71 11.64 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -142.48 0.08 1.27 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.841 0.456 . . . . 0.0 111.441 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -142.06 3.08 1.56 Allowed 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.7 mt -109.36 146.15 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 CA-C-N 118.872 0.76 . . . . 0.0 110.689 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -137.07 137.74 39.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -120.67 93.29 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 59.8 m -89.16 117.87 28.46 Favored 'General case' 0 C--N 1.335 -0.061 0 C-N-CA 122.915 0.486 . . . . 0.0 110.615 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -75.21 109.15 7.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.69 -30.84 59.48 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.916 -0.49 . . . . 0.0 110.057 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.529 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 148.45 179.82 24.7 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 121.327 0.404 . . . . 0.0 113.789 170.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 15.6 m -68.43 159.41 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.388 0.675 . . . . 0.0 111.223 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.3 m -149.58 35.28 0.7 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.156 0.982 . . . . 0.0 109.352 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.5 -125.61 7.05 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -69.84 -6.22 30.98 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.422 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 26.6 mt-30 -107.54 169.81 8.36 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 122.93 0.492 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -145.56 123.28 4.61 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 C-N-CA 123.901 0.88 . . . . 0.0 109.647 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -94.07 113.55 25.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.77 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.43 152.52 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.205 1.002 . . . . 0.0 109.006 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.93 100.55 0.76 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.46 106.2 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -100.44 106.02 17.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.13 0.49 . . . . 0.0 110.095 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.46 150.9 49.32 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.753 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.72 162.15 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 123.071 2.514 . . . . 0.0 110.038 177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -68.17 -0.83 5.03 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.698 0.399 . . . . 0.0 111.531 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.56 -14.89 63.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.084 0.554 . . . . 0.0 110.613 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.59 171.89 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.703 0.801 . . . . 0.0 109.536 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.11 157.65 25.54 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.911 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG13 HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -149.04 125.47 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.573 0.749 . . . . 0.0 109.337 178.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -141.93 172.81 12.18 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.962 0.905 . . . . 0.0 109.308 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.464 ' HD3' ' HB ' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.52 165.63 13.69 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 120.506 0.193 . . . . 0.0 111.409 -178.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -53.79 -39.36 65.38 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -169.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -76.76 -1.65 29.12 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.077 0.551 . . . . 0.0 112.341 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.475 HD12 ' C6 ' ' C' ' 9' ' ' ' C' . 9.1 mm -133.41 -33.83 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.084 0.554 . . . . 0.0 112.378 -169.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -62.83 -39.31 93.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.553 0.615 . . . . 0.0 109.778 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.76 -17.04 57.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.363 0.265 . . . . 0.0 110.743 177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -76.3 -24.13 54.36 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 122.808 0.443 . . . . 0.0 110.359 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.7 -47.25 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.22 -5.01 28.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.033 0.533 . . . . 0.0 111.952 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.071 -3.629 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.06 -3.64 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.76 -2.94 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.069 -3.631 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C4'-C3'-C2' 98.448 -4.252 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C4'-C3'-C2' 98.793 -3.907 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.472 -3.228 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.344 0 C4'-C3'-C2' 100.308 -2.392 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . 0.475 ' C6 ' HD12 ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 112.031 3.831 . 0.308 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C5'-C4'-C3' 110.585 -3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.486 " C3'" " H5'" ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 115.052 6.852 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.486 " H5'" " C3'" ' C' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 O4'-C1'-N19 111.821 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.467 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C5'-C4'-C3' 111.653 -2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.622 -3.078 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.283 -3.417 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.318 -3.382 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.172 -3.528 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.762 3.562 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.706 -2.994 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 N19-C1'-C2' 108.732 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.401 -3.299 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.131 -3.569 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C4'-C3'-C2' 98.696 -4.004 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 1 C4'-C3'-C2' 98.444 -4.256 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 98.784 -3.916 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.518 -3.182 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.553 -3.147 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.254 4.054 . 0.257 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 1 O4'-C1'-N19 112.214 4.014 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.448 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.713 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.403 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.771 1 C5'-C4'-C3' 107.31 -5.46 . 0.211 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . 0.412 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.553 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.403 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.83 -2.87 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.464 -3.236 . 0.914 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.024 -3.676 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 98.887 -3.813 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 99.109 -3.591 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 O4'-C1'-N19 111.74 3.54 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.695 0 C4'-C3'-C2' 99.727 -2.973 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.7 98.61 7.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.19 147.58 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.98 162.94 34.21 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.8 m -113.8 92.11 3.87 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -69.49 172.17 7.68 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.918 1.287 . . . . 0.0 110.705 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 83.1 mttt -134.18 152.35 51.78 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 171.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -56.58 117.26 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.27 -8.93 41.89 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 123.988 0.804 . . . . 0.0 112.859 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -82.17 168.48 17.65 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.308 1.054 . . . . 0.0 110.968 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -138.21 164.28 29.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.994 0.426 . . . . 0.0 111.447 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -135.18 164.38 33.61 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.065 0 C-N-CA 125.46 1.504 . . . . 0.0 107.41 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -135.9 146.58 47.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.06 -0.4 . . . . 0.0 110.112 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -131.21 140.29 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.241 0.616 . . . . 0.0 109.345 -176.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.77 -116.99 8.43 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -144.64 4.79 1.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.044 0.538 . . . . 0.0 110.957 177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -137.16 1.69 2.47 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.37 139.74 49.12 Favored 'Isoleucine or valine' 0 C--N 1.34 0.161 0 CA-C-N 118.816 0.735 . . . . 0.0 110.234 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -132.6 145.6 51.23 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mm -126.58 148.33 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -142.57 155.61 45.01 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -114.22 104.16 16.51 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.9 -27.88 57.85 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.288 -173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.43 169.81 21.6 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 112.324 -0.311 . . . . 0.0 112.324 173.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.34 165.17 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.979 0.419 . . . . 0.0 110.166 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 m -146.93 33.85 0.91 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.976 0.91 . . . . 0.0 109.644 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.6 -111.79 3.5 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -69.24 -7.64 38.62 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.692 0.397 . . . . 0.0 110.503 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -122.27 172.69 8.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.235 0.614 . . . . 0.0 110.463 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 51.0 t -144.97 125.0 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.876 0.871 . . . . 0.0 109.106 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -85.66 103.16 14.22 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.871 0.367 . . . . 0.0 110.18 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.9 mt -107.31 155.57 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.697 1.199 . . . . 0.0 108.404 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.28 138.63 11.71 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.87 120.08 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -121.95 110.79 16.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.193 0.52 . . . . 0.0 110.991 -176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.79 159.3 60.18 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.679 1.191 . . . . 0.0 108.413 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.54 155.83 67.67 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 122.057 1.838 . . . . 0.0 108.633 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -70.07 -0.58 7.9 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.083 -0.385 . . . . 0.0 111.23 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.09 -15.66 63.69 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.224 1.01 . . . . 0.0 111.117 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -129.51 163.58 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.122 0.569 . . . . 0.0 109.663 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.6 158.77 15.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.19 115.91 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 174.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -142.06 162.89 34.34 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.16 0.584 . . . . 0.0 110.354 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -83.34 167.91 17.13 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.811 0.444 . . . . 0.0 110.237 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -84.23 4.2 31.86 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mm -127.15 -22.88 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 C-N-CA 124.048 0.939 . . . . 0.0 110.379 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.56 -51.84 52.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.47 -11.82 46.71 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.216 0.606 . . . . 0.0 111.53 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -82.1 20.85 0.96 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.152 1.381 . . . . 0.0 111.644 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.4 mt -128.5 -53.58 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.641 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.5 mp0 -63.71 -16.8 62.04 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -170.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 118.14 0.427 . . . . 0.0 112.056 -179.18 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 ttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.413 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -112.15 99.05 7.75 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' N ' HD12 ' B' ' 3' ' ' ILE . 4.4 mp -84.7 146.58 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -143.58 165.26 28.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 86.1 m -129.12 76.96 1.76 Allowed 'General case' 0 N--CA 1.458 -0.036 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -75.64 142.44 42.6 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.012 0.925 . . . . 0.0 111.136 -171.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 140.13 44.28 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 172.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.463 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 27.3 m -61.03 152.57 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-O 121.517 0.675 . . . . 0.0 110.357 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.89 -10.94 56.1 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.394 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -94.77 -173.29 2.96 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.233 1.016 . . . . 0.0 109.55 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 46.1 m -139.25 167.95 20.92 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 49.0 mm -121.88 166.4 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 106.209 -1.775 . . . . 0.0 106.209 171.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -139.51 153.33 47.46 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 118.454 0.57 . . . . 0.0 110.409 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.65 142.79 31.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -115.84 7.53 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -144.59 3.33 1.12 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.919 0.488 . . . . 0.0 111.22 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -138.09 1.09 2.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.42 135.17 59.7 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 CA-C-N 118.866 0.757 . . . . 0.0 110.315 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -131.84 139.85 48.96 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.06 90.74 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -84.4 114.56 21.98 Favored 'General case' 0 N--CA 1.458 -0.054 0 C-N-CA 122.835 0.454 . . . . 0.0 110.614 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -73.47 105.92 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 173.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.65 -25.98 60.54 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 141.35 171.04 12.52 Favored Glycine 0 C--N 1.336 0.552 0 CA-C-O 121.695 0.608 . . . . 0.0 113.718 167.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.9 149.35 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 124.286 1.034 . . . . 0.0 110.044 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 39.1 m -141.08 46.8 1.73 Allowed 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.482 1.113 . . . . 0.0 108.822 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.25 -132.68 15.23 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.08 -5.73 14.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.766 0.426 . . . . 0.0 111.148 175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.415 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 9.9 mt-30 -112.35 166.55 11.19 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 86.8 t -145.78 116.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.073 0 C-N-CA 122.529 0.332 . . . . 0.0 110.119 -176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -84.64 115.19 22.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.43 150.42 20.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 123.541 0.736 . . . . 0.0 109.288 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.0 104.57 1.15 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.41 ' N ' HD12 ' B' ' 34' ' ' ILE . 3.9 mp -88.85 114.43 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -114.6 112.78 23.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.97 0.415 . . . . 0.0 110.888 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.4 155.26 61.0 Favored Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.429 1.091 . . . . 0.0 109.041 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -72.81 159.04 49.21 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.579 2.186 . . . . 0.0 109.561 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -71.67 1.16 7.15 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.037 -0.414 . . . . 0.0 111.507 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -72.08 -10.19 59.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.516 0.727 . . . . 0.0 110.46 173.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.83 173.88 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.965 0.906 . . . . 0.0 109.317 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.35 161.93 19.13 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.88 115.11 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.964 0.906 . . . . 0.0 108.936 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -139.89 167.27 22.51 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.934 0.494 . . . . 0.0 111.119 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -95.81 19.22 11.69 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.082 0.953 . . . . 0.0 113.032 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 70.54 -56.34 0.61 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.276 1.83 . . . . 0.0 112.597 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.52 0.49 2.2 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.147 0.579 . . . . 0.0 111.404 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -125.07 -13.84 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 125.221 1.408 . . . . 0.0 110.289 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -84.15 -43.48 14.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.29 -14.05 61.41 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.621 0.368 . . . . 0.0 111.183 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -66.78 -42.22 86.39 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -68.73 -28.45 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 123.853 0.861 . . . . 0.0 109.905 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -81.33 2.81 26.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.082 0.553 . . . . 0.0 111.487 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 123.47 0.708 . . . . 0.0 111.607 179.578 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 C4'-C3'-C2' 99.678 -3.022 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.061 -3.639 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.825 -2.875 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C4'-C3'-C2' 99.146 -3.554 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 1 C4'-C3'-C2' 98.319 -4.381 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 98.888 -3.812 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.467 -3.233 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.661 -3.039 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 O4'-C1'-N19 113.825 5.625 . 0.14 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C5'-C4'-C3' 110.702 -3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.454 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.418 -2.941 1 O4'-C1'-N19 114.066 5.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 107.219 -5.521 . 0.204 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 107.517 -5.322 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 2 P-O3'-C3' 125.606 4.922 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C4'-C3'-C2' 99.225 -3.475 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.212 -3.488 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.269 -3.431 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.374 3.174 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.458 -3.242 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C4'-C3'-C2' 99.611 -3.089 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.058 -3.642 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.497 -3.203 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.384 -3.316 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 98.958 -3.742 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 O4'-C1'-N19 111.915 3.715 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 C4'-C3'-C2' 98.43 -4.27 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.672 -3.028 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 100.009 -2.691 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 O4'-C1'-N19 112.242 4.042 . 0.269 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 110.799 -3.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.413 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 114.688 6.488 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.432 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 106.596 -5.936 . 0.075 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 O4'-C1'-N19 111.706 3.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.432 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 100.184 -2.516 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 99.48 -3.22 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.284 -3.416 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.515 -3.185 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.364 -3.336 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.303 -3.397 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C4'-C3'-C2' 99.573 -3.127 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.3 ttp . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' HG ' ' C8 ' ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -113.11 98.72 7.32 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -82.73 146.6 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -143.22 164.89 28.96 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.702 0.801 . . . . 0.0 109.078 178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.6 m -124.93 86.11 2.51 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 5.0 tpm_? -76.51 174.94 9.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.06 0.944 . . . . 0.0 109.302 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 29' ' ' GLN . 79.7 mttt -126.99 154.78 44.15 Favored 'General case' 0 C--N 1.338 0.09 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.8 t -56.18 125.18 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 C-N-CA 122.766 0.426 . . . . 0.0 110.516 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -9.8 61.4 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 123.84 0.734 . . . . 0.0 112.587 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -93.53 179.35 5.41 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.752 0.776 . . . . 0.0 110.084 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.0 p -139.58 176.07 9.04 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.012 0.91 . . . . 0.0 113.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.0 mm -136.7 162.45 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 127.172 2.189 . . . . 0.0 106.768 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -137.0 153.69 50.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.666 -0.646 . . . . 0.0 110.718 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.2 mt -140.7 143.74 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.78 -123.25 30.0 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -141.21 5.51 1.89 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.702 0.801 . . . . 0.0 110.086 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -138.97 3.39 2.21 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.28 141.9 45.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.34 0.518 . . . . 0.0 110.419 -176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.8 m -138.51 144.57 40.05 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mm -126.02 148.9 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.9 m -141.26 159.42 42.26 Favored 'General case' 0 C--O 1.229 -0.01 0 CA-C-N 118.118 0.417 . . . . 0.0 110.225 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -120.69 98.38 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.2 mt -73.47 -24.7 60.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.76 -172.96 34.47 Favored Glycine 0 C--N 1.336 0.575 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.188 174.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.61 149.64 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 124.176 0.99 . . . . 0.0 109.215 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.0 m -144.6 80.65 1.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.21 29.63 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.116 -1.193 . . . . 0.0 110.116 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -74.2 -8.89 57.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.94 0.37 . . . . 0.0 111.317 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 26.4 mt-30 -99.55 162.95 12.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 120.879 0.371 . . . . 0.0 111.318 -178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t -145.78 107.36 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.372 1.069 . . . . 0.0 109.255 -177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -76.58 101.54 5.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.011 -0.431 . . . . 0.0 110.473 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.4 mt -102.1 158.34 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.748 1.219 . . . . 0.0 108.199 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.33 146.4 17.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.32 120.03 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -120.03 114.04 21.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.125 0.488 . . . . 0.0 110.996 -175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.94 156.8 40.73 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.138 0.975 . . . . 0.0 108.831 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.91 163.38 39.02 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.639 2.226 . . . . 0.0 109.866 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 0.39 7.49 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.184 -0.322 . . . . 0.0 110.973 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -73.7 -9.65 58.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.55 0.74 . . . . 0.0 110.51 175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.69 173.35 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.981 0.912 . . . . 0.0 109.268 178.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.06 162.87 17.87 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.992 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -150.81 125.61 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.934 0.893 . . . . 0.0 108.829 177.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' HA ' ' H1 ' ' D' ' 10' ' ' ' G' . 97.6 m-70 -141.6 168.1 20.58 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.174 0.589 . . . . 0.0 110.995 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.521 ' HD3' ' CG1' ' A' ' 47' ' ' ILE 0.256 0.0 OUTLIER -115.37 97.0 5.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.871 0.843 . . . . 0.0 112.276 -172.646 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 41.46 -89.87 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.787 2.035 . . . . 0.0 113.744 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -60.73 -33.02 72.28 Favored 'General case' 0 CA--C 1.527 0.074 0 C-N-CA 123.57 0.748 . . . . 0.0 111.727 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.521 ' CG1' ' HD3' ' A' ' 44' ' ' ARG . 18.6 mm -65.74 -26.68 39.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.137 0.575 . . . . 0.0 111.214 -176.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -70.51 -47.26 61.33 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.323 0.511 . . . . 0.0 110.042 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -73.04 -20.39 60.99 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.126 0.17 . . . . 0.0 111.135 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -71.85 -26.33 62.32 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 122.894 0.478 . . . . 0.0 111.03 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.5 mt -72.28 -35.32 52.1 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.025 0.53 . . . . 0.0 109.716 176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -67.78 -4.33 12.13 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.113 0.565 . . . . 0.0 112.132 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.5 0.72 . . . . 0.0 111.372 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.437 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -108.69 97.55 7.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.288 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.401 HD12 ' N ' ' B' ' 3' ' ' ILE . 3.8 mp -81.27 140.39 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 123.487 0.715 . . . . 0.0 109.289 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -142.45 126.01 16.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 71.9 m -82.1 82.43 7.67 Favored 'General case' 0 C--N 1.338 0.068 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -65.31 173.09 2.73 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.385 1.074 . . . . 0.0 110.801 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 74.1 mttt -136.42 156.07 49.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 172.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.9 t -54.32 121.04 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-O 120.71 0.29 . . . . 0.0 110.688 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.06 -11.01 57.2 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.998 0.809 . . . . 0.0 113.031 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -78.98 166.49 22.3 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 118.236 1.018 . . . . 0.0 110.754 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.6 m -136.02 169.02 18.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 121.304 0.573 . . . . 0.0 111.838 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -140.05 161.57 25.76 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 C-N-CA 125.557 1.543 . . . . 0.0 107.979 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -130.31 151.61 50.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -138.16 148.51 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.97 -116.7 8.17 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -143.91 2.54 1.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.766 0.426 . . . . 0.0 111.35 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -140.42 4.49 1.99 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 83.5 mt -114.72 144.11 22.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 CA-C-N 118.591 0.632 . . . . 0.0 110.445 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 52.0 m -138.43 140.57 39.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.9 mm -122.7 145.17 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.3 m -140.79 144.94 35.73 Favored 'General case' 0 N--CA 1.458 -0.061 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -100.82 99.85 9.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -71.35 -28.23 63.92 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.639 -172.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 169.25 20.59 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.481 -0.39 . . . . 0.0 112.617 173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m -76.67 163.3 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -146.96 39.37 1.02 Allowed 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.948 0.899 . . . . 0.0 109.181 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.45 -123.34 6.23 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -71.28 -9.3 57.89 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.202 0.501 . . . . 0.0 110.04 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.402 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.6 mt-30 -105.71 170.76 7.71 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 122.915 0.486 . . . . 0.0 109.967 178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -146.48 124.39 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 C-N-CA 123.062 0.545 . . . . 0.0 109.925 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -88.85 109.87 20.57 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.918 0.39 . . . . 0.0 110.188 176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.2 mt -113.39 154.46 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.34 1.056 . . . . 0.0 108.603 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 121.26 4.4 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.02 121.77 58.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -121.24 111.96 18.04 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.248 0.547 . . . . 0.0 110.994 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.65 157.97 60.93 Favored Pre-proline 0 N--CA 1.452 -0.343 0 C-N-CA 124.239 1.016 . . . . 0.0 108.568 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -68.67 156.87 64.05 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 122.081 1.854 . . . . 0.0 108.982 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -70.8 1.27 5.66 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.165 -0.334 . . . . 0.0 111.335 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.69 -14.94 62.65 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.081 0.953 . . . . 0.0 111.102 173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.28 170.32 19.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 123.171 0.588 . . . . 0.0 109.898 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.86 160.36 16.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.403 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.22 118.93 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 C-N-CA 124.031 0.932 . . . . 0.0 108.79 176.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.94 166.2 25.61 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.39 0.676 . . . . 0.0 110.467 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.08 172.23 9.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 122.794 0.438 . . . . 0.0 110.627 176.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -58.24 -53.02 62.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.121 0.968 . . . . 0.0 112.479 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -80.2 7.21 9.83 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.428 HG23 ' C6 ' ' C' ' 9' ' ' ' C' . 16.4 mm -120.16 -34.56 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.055 0 C-N-CA 123.476 0.71 . . . . 0.0 110.373 -178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -68.17 -48.55 64.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -16.77 63.34 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.256 0.222 . . . . 0.0 110.985 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 ttm-85 -75.08 -20.26 59.59 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 122.785 0.434 . . . . 0.0 110.755 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.0 mt -71.08 -35.98 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -80.59 -0.88 39.79 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.339 0.656 . . . . 0.0 112.028 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -176.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.686 -3.014 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C4'-C3'-C2' 98.926 -3.774 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.221 -3.479 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 111.868 3.668 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 C4'-C3'-C2' 98.485 -4.215 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.067 -3.633 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.323 -3.377 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.221 -3.479 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . 0.428 ' C6 ' HG23 ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 112.101 3.901 . 0.405 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 C5'-C4'-C3' 110.121 -3.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.424 ' C8 ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.833 1 O4'-C1'-N19 114.98 6.78 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 C5'-C4'-C3' 106.369 -6.087 . 0.045 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 C5'-C4'-C3' 107.932 -5.045 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.186 -3.514 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 99.059 -3.641 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C4'-C3'-C2' 99.211 -3.489 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.097 -3.603 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.238 -3.462 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.71 -2.99 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . 0.427 " H3'" ' H8 ' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O4'-C1'-N19 111.618 3.418 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . 0.427 ' H8 ' " H3'" ' D' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 100.238 -2.462 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.797 -2.903 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 98.772 -3.928 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 C4'-C3'-C2' 98.235 -4.465 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 98.953 -3.747 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.996 2.711 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 C5'-C4'-C3' 108.888 -4.408 . 0.045 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . 0.63 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C5'-C4'-O4' 112.807 2.576 . 0.47 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . 0.63 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-C2' 101.858 -3.244 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.437 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.633 4.433 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.465 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 1 C5'-C4'-C3' 107.872 -5.085 . 0.124 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.005 -3.695 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.465 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 C4'-C3'-C2' 98.328 -4.372 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 99.557 -3.143 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 99.284 -3.416 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.169 -3.531 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 3 O4'-C1'-N19 112.688 4.488 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 100.412 -2.288 . 0.293 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG2' ' OP2' ' C' ' 13' ' ' ' U' . 12.5 ptm . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.154 0.057 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -102.59 106.59 17.3 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.86 0.864 . . . . 0.0 108.703 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -88.32 143.54 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -143.69 165.85 26.49 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.8 0.84 . . . . 0.0 109.198 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.2 m -120.41 138.2 53.89 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -139.55 173.15 11.83 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 122.761 0.425 . . . . 0.0 110.139 -176.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 2.0 mptm? -118.39 163.38 16.81 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.755 0.822 . . . . 0.0 108.904 175.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.87 118.08 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.57 -9.08 40.97 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 123.747 0.689 . . . . 0.0 112.265 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 7' ' ' LYS . 12.4 mm-40 -80.03 -179.85 7.23 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.667 0.733 . . . . 0.0 110.212 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.8 m -145.61 169.52 18.27 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 121.442 0.639 . . . . 0.0 111.913 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -127.67 164.01 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 C-N-CA 126.133 1.773 . . . . 0.0 106.515 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -138.88 143.04 38.57 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 118.618 0.644 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -144.4 148.44 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.084 0.554 . . . . 0.0 109.599 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.35 8.76 7.2 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 119.338 -0.701 . . . . 0.0 114.319 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.29 3.71 1.45 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.823 1.249 . . . . 0.0 113.414 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -133.47 0.16 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.745 -0.597 . . . . 0.0 111.774 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.97 138.16 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -131.47 134.91 46.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.1 mm -119.64 95.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -78.46 160.65 27.6 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.066 0.546 . . . . 0.0 110.094 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -123.04 96.95 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.5 -24.76 60.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.516 -170.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.78 -173.78 37.33 Favored Glycine 0 C--N 1.338 0.645 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.218 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.03 152.6 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.027 0.931 . . . . 0.0 109.452 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.5 m -144.56 76.0 1.48 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.793 0.837 . . . . 0.0 108.839 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.43 -116.7 9.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -74.72 -2.07 24.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.063 0.545 . . . . 0.0 111.796 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -116.45 164.21 14.91 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.176 0.444 . . . . 0.0 111.47 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.5 t -145.52 123.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.976 0.91 . . . . 0.0 109.883 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -92.46 107.97 19.62 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.608 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.0 mt -101.98 158.43 4.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 125.257 1.423 . . . . 0.0 108.707 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.08 104.82 0.54 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -84.91 122.37 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 122.825 0.45 . . . . 0.0 109.79 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.09 105.06 13.01 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.374 0.67 . . . . 0.0 109.231 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.18 154.26 53.8 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.65 163.69 36.73 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.728 2.285 . . . . 0.0 109.972 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -71.2 -1.31 12.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 122.133 -0.354 . . . . 0.0 110.944 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -73.04 -9.49 58.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.221 0.609 . . . . 0.0 110.668 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.4 m -135.59 171.53 17.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.859 0.864 . . . . 0.0 109.292 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 160.43 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.965 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -149.63 118.12 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.165 0.986 . . . . 0.0 108.894 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -142.86 160.22 40.75 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.374 0.669 . . . . 0.0 110.269 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -80.97 167.58 19.67 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.93 -27.38 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.89 -1.16 46.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.156 0.582 . . . . 0.0 111.75 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.0 mm -130.68 -25.6 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.751 0.821 . . . . 0.0 110.396 -172.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -69.13 -41.71 76.99 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -74.42 16.05 0.29 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.466 1.107 . . . . 0.0 111.18 176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -122.19 13.71 10.45 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.835 1.254 . . . . 0.0 110.91 -176.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -118.88 -52.84 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.397 0.679 . . . . 0.0 112.711 -172.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.598 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -61.71 -3.29 1.04 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -173.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.255 0 CA-C-N 118.561 0.619 . . . . 0.0 112.394 -175.269 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ttp . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.412 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.32 97.86 7.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.79 143.26 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.1 162.19 36.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 59.7 m -125.31 84.7 2.31 Favored 'General case' 0 CA--C 1.522 -0.113 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -72.61 176.83 5.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.163 0.585 . . . . 0.0 110.569 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -128.13 157.7 40.06 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.6 118.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.63 0.372 . . . . 0.0 110.79 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.84 -8.46 56.13 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 123.855 0.741 . . . . 0.0 112.741 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -86.44 172.63 10.22 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.044 0.922 . . . . 0.0 110.609 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -138.91 170.58 15.74 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 121.522 0.677 . . . . 0.0 112.542 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mm -132.62 163.1 38.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 126.004 1.722 . . . . 0.0 107.687 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -133.3 143.27 48.93 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.277 0.631 . . . . 0.0 109.8 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -144.08 151.33 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.38 9.68 6.57 Favored Glycine 0 CA--C 1.531 1.041 0 CA-C-O 119.187 -0.785 . . . . 0.0 114.352 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 62.97 4.29 1.47 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.824 1.249 . . . . 0.0 113.418 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -136.43 1.42 2.63 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.855 -0.528 . . . . 0.0 111.927 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 73.8 mt -122.9 148.9 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -176.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -137.02 140.25 41.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 19.8 mm -121.16 151.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.51 150.36 43.63 Favored 'General case' 0 CA--C 1.523 -0.065 0 CA-C-N 118.052 0.387 . . . . 0.0 110.443 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -110.03 98.65 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.422 HD22 ' C2 ' ' C' ' 13' ' ' ' U' . 7.7 mt -70.75 -29.86 66.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 -172.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.89 174.67 33.07 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 121.638 -0.315 . . . . 0.0 112.531 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -98.89 160.64 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.027 0.531 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -150.13 44.17 0.88 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.918 0.887 . . . . 0.0 109.623 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.63 -124.91 8.25 Favored Glycine 0 C--N 1.336 0.572 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -70.62 -7.75 46.57 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.025 0.412 . . . . 0.0 110.808 178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 7' ' ' LYS . 13.2 pt20 -120.48 169.26 10.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -144.71 155.03 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 122.94 0.496 . . . . 0.0 110.339 -171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -111.85 110.23 20.46 Favored 'General case' 0 C--N 1.339 0.113 0 C-N-CA 124.23 1.012 . . . . 0.0 108.723 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 51.2 mt -118.88 157.98 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 124.167 0.987 . . . . 0.0 108.958 -177.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.26 159.36 25.17 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -135.18 146.78 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -141.94 111.5 6.59 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.083 0.468 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.03 160.45 37.54 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.794 1.238 . . . . 0.0 108.212 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.95 163.11 40.36 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 122.248 1.965 . . . . 0.0 109.547 176.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.36 -1.14 11.93 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.091 -0.381 . . . . 0.0 110.466 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.47 -15.12 63.5 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.458 0.703 . . . . 0.0 110.933 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -132.02 170.56 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 123.321 0.649 . . . . 0.0 109.642 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.48 155.44 25.32 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.37 122.15 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 124.288 1.035 . . . . 0.0 108.469 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -142.58 177.53 8.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.618 0.767 . . . . 0.0 110.304 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -119.91 164.87 15.4 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 122.623 0.369 . . . . 0.0 110.793 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.56 -33.27 69.74 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -75.91 -2.21 29.18 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.833 0.453 . . . . 0.0 111.655 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.465 HD12 ' C6 ' ' C' ' 9' ' ' ' C' . 21.2 mm -132.55 -23.85 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 C-N-CA 124.082 0.953 . . . . 0.0 111.519 -170.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -69.22 -40.29 78.05 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -71.83 12.29 0.41 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.393 1.077 . . . . 0.0 111.677 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.473 ' HG2' ' H41' ' C' ' 9' ' ' ' C' . 65.8 ttt180 -127.44 2.64 6.27 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.073 0.949 . . . . 0.0 111.355 -176.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -94.87 -49.36 12.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.438 -0.789 . . . . 0.0 112.819 -176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.569 ' NE2' ' H ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -56.29 -5.2 0.18 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -172.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.261 0 CA-C-N 119.281 0.946 . . . . 0.0 112.912 -175.404 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.261 -3.439 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.322 -3.378 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 C4'-C3'-C2' 98.611 -4.089 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 1 C4'-C3'-C2' 98.461 -4.239 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 1 O4'-C1'-N19 112.42 4.22 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-N19 110.996 2.796 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 1 C5'-C4'-C3' 107.728 -5.181 . 0.643 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . 0.473 ' H41' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.734 3.534 . 0.433 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C5'-C4'-C3' 111.011 -2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.443 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.78 1 O4'-C1'-N19 113.105 4.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.427 ' C2 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 C5'-C4'-C3' 107.866 -5.089 . 0.178 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . 0.456 ' OP2' ' HG2' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.421 -2.66 1 C5'-C4'-C3' 108.603 -4.598 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.427 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.281 -2.813 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.507 -3.193 . 0.939 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.403 -3.297 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.687 -3.013 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.375 -3.325 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 O4'-C1'-N19 111.505 3.305 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.678 -3.022 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.75 -2.95 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.082 -3.618 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.386 -3.314 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.206 -3.494 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 98.87 -3.83 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C4'-C3'-C2' 98.676 -4.024 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C4'-C3'-C2' 99.472 -3.228 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.988 -2.712 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 O4'-C1'-N19 112.176 3.976 . 0.297 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.412 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 115.039 6.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 1 C5'-C4'-C3' 106.503 -5.998 . 0.06 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.578 3.378 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C4'-C3'-C2' 99.796 -2.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 O4'-C1'-N19 111.303 3.103 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.542 0 C4'-C3'-C2' 99.443 -3.257 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.438 -3.262 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.182 -3.518 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 C4'-C3'-C2' 99.357 -3.343 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.695 -3.005 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.517 -0.179 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -111.93 97.92 7.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.557 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.5 mp -84.88 132.68 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -137.54 169.52 17.64 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -118.77 143.97 46.58 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -139.5 135.86 33.94 Favored 'General case' 0 N--CA 1.457 -0.104 0 O-C-N 122.342 -0.224 . . . . 0.0 110.546 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.96 151.0 38.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -58.74 135.08 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.99 -2.09 63.64 Favored Glycine 0 CA--C 1.528 0.882 0 CA-C-O 119.683 -0.509 . . . . 0.0 112.608 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -108.13 -176.74 3.14 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.818 0.809 . . . . 0.0 109.816 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 m -144.03 172.61 12.65 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.358 0.599 . . . . 0.0 112.316 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -129.59 166.21 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 125.62 1.568 . . . . 0.0 107.196 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -129.33 157.0 43.12 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 118.22 0.463 . . . . 0.0 111.667 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.8 mt -142.32 147.36 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 107.931 -1.136 . . . . 0.0 107.931 176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.72 -125.89 33.67 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.04 6.59 2.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.049 0.54 . . . . 0.0 111.27 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -135.99 4.28 2.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 112.261 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.65 143.48 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 118.678 0.672 . . . . 0.0 110.587 -175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.0 m -140.57 143.09 35.13 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.749 0.82 . . . . 0.0 109.518 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.4 mm -124.56 94.87 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.58 0.752 . . . . 0.0 109.183 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.6 m -82.78 159.68 22.43 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.092 0.557 . . . . 0.0 110.624 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -123.5 101.31 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.091 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -75.12 -25.68 58.65 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.781 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 150.61 170.78 18.15 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 120.674 -0.774 . . . . 0.0 113.79 171.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.38 164.61 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.213 0.605 . . . . 0.0 110.065 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.9 m -150.26 39.53 0.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.779 1.232 . . . . 0.0 108.386 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -115.25 4.46 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.32 -8.69 55.4 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 25.9 mt-30 -114.38 169.56 8.95 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.763 0.425 . . . . 0.0 110.994 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -147.05 129.77 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.91 0.884 . . . . 0.0 109.577 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -92.76 108.65 20.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.46 158.34 7.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.916 1.286 . . . . 0.0 108.437 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.52 101.58 0.5 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.87 114.93 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -115.3 112.63 22.7 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.158 0.504 . . . . 0.0 110.955 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.0 156.48 55.07 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.427 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.39 156.26 66.29 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.181 1.921 . . . . 0.0 109.021 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -70.0 -1.05 8.65 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.057 -0.402 . . . . 0.0 111.331 -178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.63 -14.93 63.34 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.053 0.941 . . . . 0.0 111.182 174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.29 166.3 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.124 0.57 . . . . 0.0 109.771 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.11 160.53 14.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 111.3 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -153.49 118.01 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.221 1.008 . . . . 0.0 108.694 175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' CE1' ' H22' ' D' ' 10' ' ' ' G' . 61.3 m-70 -142.86 158.36 43.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.309 0.644 . . . . 0.0 110.038 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' B' ' 12' ' ' ILE . 17.3 ptp180 -78.16 164.28 25.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.35 -30.21 70.56 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -86.5 5.01 37.45 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mm -126.37 -30.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.338 0.088 0 C-N-CA 123.945 0.898 . . . . 0.0 110.183 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -63.3 -42.0 99.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -76.24 -16.1 59.89 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.458 0.303 . . . . 0.0 111.024 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -77.89 -22.37 49.85 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.699 0.4 . . . . 0.0 110.791 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.01 -31.48 53.87 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 123.584 0.753 . . . . 0.0 109.95 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -68.49 -2.55 8.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.478 0.711 . . . . 0.0 112.244 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 123.426 0.69 . . . . 0.0 111.413 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.456 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -109.54 95.05 5.36 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 177.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' CD1' " H4'" ' D' ' 13' ' ' ' U' . 4.1 mp -77.88 145.74 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -142.97 161.43 38.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 42.0 m -126.05 78.09 1.73 Allowed 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.47 172.4 13.7 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.098 -174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 46.2 mttt -104.85 153.89 20.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.488 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 26.8 m -65.92 138.84 22.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.764 0.792 . . . . 0.0 110.174 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.79 -9.67 68.47 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.127 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 178.2 8.49 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.229 1.014 . . . . 0.0 111.079 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.7 m -139.1 167.95 20.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.967 0.507 . . . . 0.0 111.425 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 44' ' ' ARG . 40.5 mm -136.81 165.72 27.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.354 1.862 . . . . 0.0 106.9 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.401 ' N ' HG22 ' B' ' 12' ' ' ILE . 8.7 t-20 -136.21 153.3 51.27 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 121.729 -0.607 . . . . 0.0 110.213 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -141.67 145.83 23.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -125.07 35.22 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -139.12 2.47 2.11 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.249 0.619 . . . . 0.0 110.897 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -137.89 3.85 2.49 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.128 0.571 . . . . 0.0 112.187 -176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.24 141.38 40.77 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 CA-C-N 118.486 0.585 . . . . 0.0 109.862 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -137.79 142.38 40.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -124.3 154.42 31.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.5 m -142.94 161.07 39.09 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -125.43 94.79 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.91 -29.83 67.09 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.488 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 147.05 169.56 14.68 Favored Glycine 0 C--N 1.337 0.624 0 C-N-CA 120.584 -0.817 . . . . 0.0 114.418 167.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -74.14 144.35 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.592 1.157 . . . . 0.0 109.833 178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -146.35 82.22 1.59 Allowed 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.979 0.912 . . . . 0.0 108.733 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -143.64 43.53 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.31 -5.14 17.03 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.966 0.383 . . . . 0.0 111.324 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -103.92 172.34 6.86 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.21 0.529 . . . . 0.0 111.028 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 51.5 t -143.46 128.9 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -86.95 104.76 16.58 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mm -91.82 162.71 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 C-N-CA 124.94 1.296 . . . . 0.0 109.185 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.59 133.87 7.29 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 174.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.19 120.07 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.61 113.63 19.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.113 0.482 . . . . 0.0 110.975 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -147.29 158.23 44.42 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.115 0.966 . . . . 0.0 108.741 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -72.53 163.18 39.32 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.6 2.2 . . . . 0.0 110.065 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -66.44 -1.39 3.47 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.954 0.501 . . . . 0.0 111.577 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.69 -14.75 62.96 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.307 0.643 . . . . 0.0 110.52 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.6 172.67 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.659 0.784 . . . . 0.0 109.616 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -114.9 165.73 12.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.733 0.301 . . . . 0.0 110.835 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.07 125.61 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.061 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -144.08 157.13 44.5 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 121.313 0.578 . . . . 0.0 112.392 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -72.78 12.35 0.52 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.963 2.105 . . . . 0.0 114.383 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 63.98 1.42 1.15 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 0.0 113.206 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -126.07 7.03 7.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 121.477 -0.764 . . . . 0.0 109.865 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.7 -9.49 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -70.9 -35.76 72.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.24 -19.19 61.75 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 122.117 -0.364 . . . . 0.0 111.093 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -69.15 -16.58 63.68 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.924 0.49 . . . . 0.0 110.513 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.3 mt -70.26 -37.25 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.051 0 C-N-CA 123.561 0.744 . . . . 0.0 110.427 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.05 -7.29 21.65 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.093 -3.607 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.127 -3.573 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 98.833 -3.867 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.513 1 C4'-C3'-C2' 98.566 -4.134 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 C4'-C3'-C2' 98.696 -4.004 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.23 3.03 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 1 C5'-C4'-C3' 108.723 -4.518 . 0.607 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . 0.44 " H4'" ' C4 ' ' C' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 110.834 2.634 . 0.066 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . 0.44 ' C4 ' " H4'" ' C' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 110.588 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.422 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 113.015 4.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.401 ' N1 ' " H1'" ' C' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 C5'-C4'-C3' 106.987 -5.675 . 0.202 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . 0.425 " H4'" ' CD1' ' A' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.036 -3.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.401 " H1'" ' N1 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 99.361 -3.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.592 -3.108 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 99.398 -3.302 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 C4'-C3'-C2' 99.518 -3.182 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.208 -3.492 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 C4'-C3'-C2' 99.293 -3.407 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 99.474 -3.226 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 0 C4'-C3'-C2' 99.754 -2.946 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 C4'-C3'-C2' 99.112 -3.588 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 C4'-C3'-C2' 99.744 -2.956 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 98.771 -3.929 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 1 C4'-C3'-C2' 98.399 -4.301 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 98.717 -3.983 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.776 -2.924 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.803 -2.897 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 1 O4'-C1'-N19 112.756 4.556 . 0.232 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . 0.406 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C5'-C4'-C3' 110.736 -3.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.456 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.416 -3.05 1 O4'-C1'-N19 113.52 5.32 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.468 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.701 1 C5'-C4'-C3' 107.166 -5.556 . 0.224 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . 0.414 " H4'" ' CD1' ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.01 -3.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.468 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C5'-C4'-C3' 111.689 -2.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.019 2.819 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.278 -3.422 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 0 C4'-C3'-C2' 99.081 -3.619 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.538 3.338 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 99.206 -3.494 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.666 -3.034 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -107.93 104.77 14.31 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.48 142.77 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt -141.49 162.84 34.5 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 175.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 m -123.4 85.64 2.45 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 1.1 mmp_? -80.71 174.33 11.72 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.899 0.48 . . . . 0.0 110.0 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -121.52 162.01 21.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.3 126.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.157 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.96 -9.3 63.66 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.776 0.703 . . . . 0.0 112.448 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.92 173.03 8.45 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 117.953 0.876 . . . . 0.0 110.157 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.8 p -146.26 176.95 9.37 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.817 0.817 . . . . 0.0 113.059 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.03 162.81 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 126.967 2.107 . . . . 0.0 107.653 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -133.31 151.92 51.9 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.709 0.404 . . . . 0.0 110.124 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -141.67 144.03 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.33 10.47 7.6 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.266 -0.741 . . . . 0.0 114.03 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.6 t70 62.54 7.03 2.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.793 1.237 . . . . 0.0 113.192 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -131.9 1.57 3.96 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.687 -0.633 . . . . 0.0 111.81 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.9 mt -125.77 150.56 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -137.98 137.45 37.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mm -122.21 133.86 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -135.56 135.7 40.55 Favored 'General case' 0 N--CA 1.46 0.05 0 CA-C-N 118.611 0.641 . . . . 0.0 111.475 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -90.33 101.02 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.33 -26.18 60.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.348 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 167.37 18.53 Favored Glycine 0 C--N 1.336 0.568 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -80.19 162.52 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-O 120.828 0.346 . . . . 0.0 110.07 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.2 m -149.11 39.92 0.85 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.94 0.896 . . . . 0.0 109.515 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.18 -124.72 6.85 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -69.05 -13.36 62.4 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 117.169 0.485 . . . . 0.0 109.978 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -100.48 165.99 11.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.6 t -147.3 114.72 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.263 0.625 . . . . 0.0 109.36 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -77.96 102.3 7.28 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 120.813 0.339 . . . . 0.0 110.569 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.37 163.51 10.46 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 124.218 1.007 . . . . 0.0 108.492 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.83 157.18 24.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.17 131.84 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -131.17 112.69 13.07 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.058 0.456 . . . . 0.0 111.093 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.7 160.46 50.48 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 125.276 1.43 . . . . 0.0 108.161 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.52 163.22 39.74 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.284 1.989 . . . . 0.0 109.785 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -70.06 0.47 6.02 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.196 -0.315 . . . . 0.0 111.416 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -14.94 63.38 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.039 0.536 . . . . 0.0 110.216 173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.69 173.12 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.741 0.816 . . . . 0.0 109.639 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.01 162.69 17.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.04 114.12 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 123.797 0.839 . . . . 0.0 109.089 178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -142.57 160.84 39.5 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 123.119 0.567 . . . . 0.0 110.44 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -82.84 165.62 19.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -70.19 -28.68 65.49 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.804 -0.56 . . . . 0.0 112.314 -176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -77.35 -1.77 31.65 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.068 0.547 . . . . 0.0 111.057 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -127.53 -23.66 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 C-N-CA 123.856 0.863 . . . . 0.0 110.734 -174.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -72.34 -43.96 63.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 172.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -68.49 -3.48 11.65 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.939 0.496 . . . . 0.0 111.175 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -95.71 5.97 50.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.878 1.271 . . . . 0.0 110.96 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.4 mt -103.51 -89.16 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.08 0.552 . . . . 0.0 111.245 -175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' A' ' 52' ' ' GLN . 2.1 pm0 -69.18 -8.67 47.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.6 1.16 . . . . 0.0 113.672 -172.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 CA-C-N 118.206 0.457 . . . . 0.0 111.658 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.5 ttp . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 110.751 -0.092 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.453 ' HG ' " O4'" ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -111.68 99.02 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.388 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.57 142.89 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 123.43 0.692 . . . . 0.0 109.964 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -145.34 125.31 13.57 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.279 1.032 . . . . 0.0 108.503 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -78.85 91.51 4.77 Favored 'General case' 0 C--N 1.335 -0.045 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -68.78 174.55 4.24 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.896 1.279 . . . . 0.0 110.647 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -138.85 156.76 47.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -57.39 118.85 2.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-O 120.745 0.307 . . . . 0.0 110.339 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.34 -8.8 57.25 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.737 0.684 . . . . 0.0 112.615 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -80.64 164.39 22.89 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.097 0.948 . . . . 0.0 110.459 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 67.9 m -138.49 162.88 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 121.145 0.498 . . . . 0.0 111.17 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mm -132.67 164.83 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 C-N-CA 125.24 1.416 . . . . 0.0 107.8 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -131.67 149.63 52.42 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -139.61 145.24 27.16 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.72 -123.63 31.14 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -140.67 4.24 1.92 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.456 0.702 . . . . 0.0 110.571 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -140.02 4.99 2.1 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.16 0.584 . . . . 0.0 112.526 -174.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.5 mt -124.64 141.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 CA-C-N 118.427 0.558 . . . . 0.0 110.015 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -139.87 147.97 41.41 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -128.79 148.32 33.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.6 m -139.61 156.02 47.11 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.84 102.5 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.5 -27.89 61.61 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.782 -169.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.83 -177.89 39.49 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.876 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.64 149.3 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 123.977 0.911 . . . . 0.0 109.09 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -141.61 76.1 1.53 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.94 -126.56 34.53 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -72.77 -4.22 30.15 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.878 0.471 . . . . 0.0 111.665 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -110.42 164.5 12.63 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.109 -0.369 . . . . 0.0 111.063 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 72.8 t -142.66 133.08 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 109.328 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -100.37 107.53 19.33 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.4 mt -104.91 158.4 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 124.173 0.989 . . . . 0.0 108.559 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -133.61 107.9 0.71 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.08 126.16 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -113.92 104.04 11.77 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.1 153.13 48.77 Favored Pre-proline 0 N--CA 1.453 -0.279 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.38 162.99 37.26 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 123.063 2.509 . . . . 0.0 110.076 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.21 -1.65 8.48 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.297 0.239 . . . . 0.0 111.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.34 -15.26 63.49 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.152 0.581 . . . . 0.0 110.598 174.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.14 173.07 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.757 0.823 . . . . 0.0 109.447 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.65 22.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 111.06 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.18 115.3 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.129 0.972 . . . . 0.0 108.49 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -141.25 159.7 41.67 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.115 0.483 . . . . 0.0 110.525 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.439 ' CG ' ' HB ' ' B' ' 47' ' ' ILE . 4.8 ptm180 -80.78 156.42 26.2 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.141 0.977 . . . . 0.0 109.207 175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -66.69 -22.32 66.08 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -83.15 -7.25 59.65 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.615 0.366 . . . . 0.0 111.678 -178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.439 ' HB ' ' CG ' ' B' ' 44' ' ' ARG . 3.2 mt -131.15 -13.28 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.74 -42.97 94.8 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.301 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.16 -14.36 62.61 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.074 0.55 . . . . 0.0 111.649 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' B' ' 47' ' ' ILE . 42.7 ttt180 -77.81 3.05 15.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.443 1.097 . . . . 0.0 111.764 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 78.2 mt -104.89 -51.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.611 ' NE2' ' H ' ' B' ' 52' ' ' GLN . 3.0 mp0 -67.5 -10.41 51.36 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -171.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -175.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.779 -2.921 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 98.912 -3.788 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.595 2.395 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 1 C4'-C3'-C2' 98.645 -4.055 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 2 C4'-C3'-C2' 98.218 -4.482 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C4'-C3'-C2' 98.711 -3.989 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 O4'-C1'-N19 110.704 2.504 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 109.68 -3.88 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 1 O4'-C1'-N19 112.3 4.1 . 0.294 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.625 -3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.445 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.99 1 O4'-C1'-N19 113.507 5.307 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 C5'-C4'-C3' 107.313 -5.458 . 0.181 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O4'-C1'-N19 111.624 3.424 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 99.35 -3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 C4'-C3'-C2' 99.506 -3.194 . 0.948 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 C4'-C3'-C2' 98.942 -3.758 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.056 -3.644 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.162 -3.538 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 O4'-C1'-N19 111.532 3.332 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.612 -3.088 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.062 -3.638 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.042 -3.658 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.245 -3.455 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 C4'-C3'-C2' 98.586 -4.114 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C4'-C3'-C2' 98.524 -4.176 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C4'-C3'-C2' 98.914 -3.786 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.258 -3.442 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.72 -2.98 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 O4'-C1'-N19 111.85 3.65 . 0.29 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . 0.427 " H1'" HD21 ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 C4'-C3'-C2' 99.397 -3.303 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.453 " O4'" ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.428 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C5'-C4'-C3' 108.645 -4.57 . 0.174 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.428 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 C4'-C3'-C2' 97.922 -4.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C4'-C3'-C2' 99.054 -3.646 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.559 -3.141 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.317 -3.383 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.218 -3.482 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C4'-C3'-C2' 99.208 -3.492 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.707 -2.993 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.0 ttp . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 119.722 -0.18 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' HG ' " O4'" ' C' ' 11' ' ' ' G' . 0.0 OUTLIER -109.17 98.66 8.07 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -87.25 147.2 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.1 mt -143.16 165.02 28.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 m -121.59 85.33 2.39 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -77.38 175.55 9.66 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.443 0.697 . . . . 0.0 110.785 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -127.54 159.98 32.92 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 173.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -54.94 127.44 13.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.38 -8.29 62.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.683 0.659 . . . . 0.0 112.818 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -88.23 176.1 7.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.229 1.014 . . . . 0.0 110.794 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 m -139.46 172.29 13.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mm -137.29 161.94 34.09 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 126.217 1.807 . . . . 0.0 107.225 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -138.01 152.77 49.21 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.055 -0.403 . . . . 0.0 110.749 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.0 mt -141.9 156.08 19.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.52 174.27 0.65 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.591 -0.604 . . . . 0.0 111.591 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 57.81 18.1 4.66 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.992 0.517 . . . . 0.0 111.307 -172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 74.33 18.51 3.0 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 125.986 1.714 . . . . 0.0 114.348 174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.01 146.21 8.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-N 119.202 0.91 . . . . 0.0 108.893 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 m -133.43 139.7 46.88 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -121.63 155.33 25.86 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -145.15 160.54 41.27 Favored 'General case' 0 N--CA 1.457 -0.094 0 O-C-N 122.153 -0.342 . . . . 0.0 110.207 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -118.44 99.46 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.91 -23.4 52.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -172.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.96 168.86 18.16 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 121.288 -0.482 . . . . 0.0 113.01 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -79.28 164.32 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 m -151.69 45.42 0.78 Allowed 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.358 1.063 . . . . 0.0 108.857 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.18 -123.56 6.56 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -71.55 -7.53 48.2 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.964 0.382 . . . . 0.0 110.038 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' OE1' ' HE2' ' B' ' 7' ' ' LYS . 16.3 mt-30 -105.8 166.72 10.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.278 0.631 . . . . 0.0 110.064 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -148.23 119.53 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 123.612 0.765 . . . . 0.0 110.278 -176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.63 99.23 4.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 122.243 -0.286 . . . . 0.0 110.246 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -99.85 148.9 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 172.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.97 16.95 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.2 mt -130.26 111.6 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -110.01 107.35 17.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.43 154.1 71.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 C-N-CA 124.41 1.084 . . . . 0.0 108.517 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -73.31 160.22 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 122.626 2.218 . . . . 0.0 109.608 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -70.77 -0.3 8.66 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.17 -0.331 . . . . 0.0 111.335 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.49 -10.53 59.91 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.065 0.546 . . . . 0.0 110.243 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.51 170.14 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.856 0.862 . . . . 0.0 109.735 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.11 158.83 22.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 110.772 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.35 115.38 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 123.793 0.837 . . . . 0.0 109.023 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -144.48 161.89 37.93 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.03 0.532 . . . . 0.0 110.548 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -82.21 168.72 17.37 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.854 0.462 . . . . 0.0 109.937 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -32.11 72.62 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -172.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.41 4.59 34.76 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.829 0.451 . . . . 0.0 111.821 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.2 mm -128.88 -26.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 C-N-CA 122.797 0.439 . . . . 0.0 111.584 -173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.37 -46.03 74.55 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.764 0.711 . . . . 0.0 109.847 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -67.98 -7.15 26.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.919 0.488 . . . . 0.0 111.165 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -90.28 12.03 19.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.581 1.153 . . . . 0.0 111.233 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -112.73 -91.44 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 122.989 0.516 . . . . 0.0 111.687 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.591 ' H ' ' CD ' ' A' ' 52' ' ' GLN . 2.6 pm0 -62.21 -4.63 1.83 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.678 1.191 . . . . 0.0 114.084 -171.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 118.436 0.562 . . . . 0.0 111.49 176.524 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.569 -0.16 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.43 ' HG ' ' C8 ' ' D' ' 11' ' ' ' G' . 0.0 OUTLIER -114.66 109.79 18.77 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.427 1.091 . . . . 0.0 108.802 179.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.547 ' N ' HD13 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -83.08 141.24 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -178.023 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 72.8 mt -140.85 112.91 7.79 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -75.45 72.61 2.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.8 OUTLIER -65.67 171.32 4.29 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.029 0.931 . . . . 0.0 109.888 -175.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.405 ' HE2' ' OE1' ' A' ' 29' ' ' GLN . 68.9 mttt -128.41 153.79 46.71 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.27 123.46 6.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 122.793 0.437 . . . . 0.0 110.613 -176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.53 -8.44 60.19 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.762 0.696 . . . . 0.0 112.645 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -90.42 174.37 7.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.05 0.925 . . . . 0.0 110.273 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -139.5 172.32 12.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.356 0.598 . . . . 0.0 111.942 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 13' ' ' ASN . 38.7 mm -138.96 163.71 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 125.686 1.594 . . . . 0.0 108.035 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' N ' HG22 ' B' ' 12' ' ' ILE . 6.4 t-20 -136.87 149.36 47.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.151 -0.343 . . . . 0.0 110.451 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -142.51 130.81 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.956 0.502 . . . . 0.0 109.996 -177.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 8.88 11.27 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 119.425 -0.653 . . . . 0.0 114.155 175.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 29.7 t70 62.35 5.52 1.6 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.778 1.231 . . . . 0.0 113.403 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -123.61 -5.01 8.17 Favored 'General case' 0 C--N 1.339 0.135 0 O-C-N 121.799 -0.563 . . . . 0.0 111.213 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -128.16 142.73 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -131.96 140.29 48.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.7 mm -123.16 152.32 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -144.81 156.6 44.12 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.3 tp -118.38 94.61 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.7 mt -70.93 -23.76 62.32 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.097 -175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.63 -175.04 35.04 Favored Glycine 0 C--N 1.337 0.62 0 C-N-CA 119.951 -1.119 . . . . 0.0 113.588 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -122.82 150.18 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 124.248 1.019 . . . . 0.0 108.955 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 56.8 m -144.4 79.04 1.6 Allowed 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.59 -128.74 35.76 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -71.72 -9.18 57.89 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.572 0.349 . . . . 0.0 111.596 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -99.97 162.95 12.67 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 52.5 t -144.98 125.43 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.911 0.884 . . . . 0.0 109.277 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -92.17 108.28 19.83 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.6 152.25 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.776 1.23 . . . . 0.0 108.169 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.54 144.64 15.69 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.2 122.53 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -125.78 109.88 13.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.059 0.457 . . . . 0.0 111.24 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.65 159.61 66.75 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 125.62 1.568 . . . . 0.0 107.636 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.68 163.49 38.76 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 122.318 2.012 . . . . 0.0 110.14 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -70.79 -0.35 8.79 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.204 -0.31 . . . . 0.0 111.112 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -68.36 -14.67 63.16 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.88 0.472 . . . . 0.0 109.966 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.79 173.03 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.748 0.819 . . . . 0.0 109.769 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.75 162.78 17.14 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.93 124.16 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.77 173.02 12.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.294 0.638 . . . . 0.0 110.872 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.548 ' HD3' ' CG1' ' B' ' 47' ' ' ILE . 0.0 OUTLIER -118.88 104.67 10.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.921 0.867 . . . . 0.0 112.563 -171.074 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 41.95 -98.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.14 1.776 . . . . 0.0 113.182 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.64 -25.83 66.77 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.548 ' CG1' ' HD3' ' B' ' 44' ' ' ARG . 17.7 mm -62.05 -26.06 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 118.226 0.466 . . . . 0.0 111.078 -177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.72 -49.22 60.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.25 0.477 . . . . 0.0 110.394 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.32 -18.52 60.69 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 122.329 -0.232 . . . . 0.0 111.283 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -72.3 -19.49 61.66 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.859 0.463 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 70.5 mt -69.02 -31.66 51.29 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 123.075 0.55 . . . . 0.0 109.76 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.84 -9.16 42.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 118.119 0.418 . . . . 0.0 110.744 174.608 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.016 -3.684 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.532 0 C4'-C3'-C2' 99.227 -3.473 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 O4'-C1'-N19 110.572 2.372 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 1 C4'-C3'-C2' 98.36 -4.34 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 1 C4'-C3'-C2' 98.053 -4.647 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 O4'-C1'-N19 112.169 3.969 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C5'-C4'-O4' 112.802 2.573 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C5'-C4'-C3' 108.983 -4.345 . 0.153 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 1 O4'-C1'-N19 112.567 4.367 . 0.311 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 110.816 -3.122 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' G' . . . . . 0.449 " O4'" ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.896 4.696 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' A' . . . . . 0.551 " C2'" H5'' ' C' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 1 C5'-C4'-C3' 108.297 -4.802 . 0.15 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' U' . . . . . 0.551 H5'' " C2'" ' C' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 O5'-C5'-C4' 115.846 4.033 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' G' . . . . . 0.507 " H1'" ' C2 ' ' C' ' 12' ' ' ' A' . . . . . . . . 0 P--O5' 1.625 3.243 0 C4'-C3'-C2' 98.99 -3.71 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.767 0 O4'-C1'-N19 111.662 3.462 . 0.883 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 C4'-C3'-C2' 98.671 -4.029 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.034 -3.666 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.026 -3.674 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C4'-C3'-C2' 99.131 -3.569 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.718 -2.982 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.701 -2.999 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.591 0 C4'-C3'-C2' 99.065 -3.635 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 99.278 -3.422 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 98.846 -3.854 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 C4'-C3'-C2' 98.459 -4.241 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 98.818 -3.882 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.472 " H3'" H5'' ' D' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 110.937 2.737 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' A' . . . . . 0.472 H5'' " H3'" ' D' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C5'-C4'-C3' 110.832 -3.112 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' C' . . . . . 0.548 " H4'" ' C4 ' ' D' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.094 -2.606 . 0.277 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' G' . . . . . 0.548 ' C4 ' " H4'" ' D' ' 9' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-C2' 102.147 -3.038 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' G' . . . . . 0.43 ' C8 ' ' HG ' ' B' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.947 4.747 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.55 ' C2 ' " H1'" ' D' ' 14' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.668 1 C5'-C4'-C3' 105.633 -6.578 . 0.094 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 C5'-C4'-C3' 110.035 -3.643 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' G' . . . . . 0.55 " H1'" ' C2 ' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 111.054 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.399 -3.301 . 0.962 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-C2' 99.066 -3.634 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.242 -3.458 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.151 -3.549 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 99.372 -3.328 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.814 -2.886 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_